cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1654202
title: Materials Data on Sb4ClO6 by Materials Project

description: (Sb2O3)4Cl2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four hydrochloric acid molecules and two Sb2O3 ribbons oriented in the (0, 1, 0) direction. In each Sb2O3 ribbon, there are four inequivalent Sb+3.25+ sites. In the first Sb+3.25+ site, Sb+3.25+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.97–2.14 Å. In the second Sb+3.25+ site, Sb+3.25+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.19 Å. In the third Sb+3.25+ site, Sb+3.25+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.18 Å. In the fourth Sb+3.25+ site, Sb+3.25+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.20 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.25+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb+3.25+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.25+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb+3.25+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.25+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb+3.25+ atoms.
DOI: 10.17188/1654203
title: Materials Data on LiFe3O4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1654204
title: Materials Data on Al(BiO3)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1654205
title: Materials Data on XeNO2F5 by Materials Project

description: XeOF5NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four XeOF5 clusters. In each XeOF5 cluster, Xe is bonded in a pentagonal pyramidal geometry to one O and five F atoms. The Xe–O bond length is 1.83 Å. There are a spread of Xe–F bond distances ranging from 2.07–2.17 Å. O is bonded in a single-bond geometry to one Xe atom. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom.
DOI: 10.17188/1654206
title: Materials Data on K2InAsBr6 by Materials Project

description: K2InAsBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent InBr6 octahedra, and faces with four equivalent AsBr6 octahedra. All K–Br bond lengths are 4.02 Å. In1+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent AsBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.99 Å. As3+ is bonded to six equivalent Br1- atoms to form AsBr6 octahedra that share corners with six equivalent InBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–Br bond lengths are 2.69 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one In1+, and one As3+ atom.
DOI: 10.17188/1654207
title: Materials Data on TmAlCu4 by Materials Project

description: TmCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (2.95 Å) and twelve longer (3.26 Å) Tm–Cu bond lengths. All Tm–Al bond lengths are 2.95 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Tm, six equivalent Cu, and three equivalent Al atoms to form CuTm3Al3Cu6 cuboctahedra that share corners with nine equivalent AlTm3Cu9 cuboctahedra, corners with twelve equivalent CuTm4Al2Cu6 cuboctahedra, edges with six equivalent CuTm3Al3Cu6 cuboctahedra, faces with three equivalent AlTm3Cu9 cuboctahedra, and faces with twenty CuTm3Al3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.50 Å. All Cu–Al bond lengths are 2.95 Å. In the second Cu site, Cu is bonded to four equivalent Tm, six Cu, and two equivalent Al atoms to form distorted CuTm4Al2Cu6 cuboctahedra that share corners with four equivalent AlTm3Cu9 cuboctahedra, corners with twenty CuTm3Al3Cu6 cuboctahedra, edges with ten equivalent CuTm4Al2Cu6 cuboctahedra, faces with six equivalent AlTm3Cu9 cuboctahedra, and faces with sixteen CuTm3Al3Cu6 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.50 Å. Al is bonded to three equivalent Tm and nine Cu atoms to form distorted AlTm3Cu9 cuboctahedra that share corners with twenty-one CuTm3Al3Cu6 cuboctahedra, edges with six equivalent AlTm3Cu9 cuboctahedra, faces with two equivalent AlTm3Cu9 cuboctahedra, and faces with twenty-one CuTm3Al3Cu6 cuboctahedra.
DOI: 10.17188/1654209
title: Materials Data on TmAlNi4 by Materials Project

description: TmNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to fourteen Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.78–3.15 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tm, seven Ni, and two equivalent Al atoms. There are a spread of Ni–Ni bond distances ranging from 2.46–2.85 Å. Both Ni–Al bond lengths are 2.44 Å. In the second Ni site, Ni is bonded to four equivalent Tm, six Ni, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing NiTm4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.49 Å. Both Ni–Al bond lengths are 2.43 Å. Al is bonded in a 12-coordinate geometry to eight Ni atoms.
DOI: 10.17188/1654210
title: Materials Data on Sr4Nb3PO14 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1654211
title: Materials Data on In2SnHg by Materials Project

description: HgIn2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HgIn2Sn ribbons oriented in the (1, 0, 0) direction. Hg is bonded in a linear geometry to two equivalent In atoms. Both Hg–In bond lengths are 3.02 Å. In is bonded in a linear geometry to one Hg and one Sn atom. The In–Sn bond length is 2.78 Å. Sn is bonded in a linear geometry to two equivalent In atoms.
DOI: 10.17188/1654212
title: Materials Data on Sr2SmBeO5 by Materials Project

description: Sr2BeSmO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.91 Å. Be is bonded in a tetrahedral geometry to four O atoms. There are a spread of Be–O bond distances ranging from 1.65–1.69 Å. Sm is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.93 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four equivalent Sr, one Be, and one Sm atom. In the second O site, O is bonded in a 6-coordinate geometry to four equivalent Sr and two equivalent Sm atoms. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Sr, one Be, and two equivalent Sm atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to four equivalent Sr, one Be, and one Sm atom.
DOI: 10.17188/1654213
title: Materials Data on LaBi2(CO)2 by Materials Project

description: LaC2(BiO)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BiO sheets oriented in the (0, 0, 1) direction and two LaC2 sheets oriented in the (0, 0, 1) direction. In each BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.34 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In each LaC2 sheet, La3+ is bonded to eight equivalent C+2.50- atoms to form a mixture of edge and face-sharing LaC8 hexagonal bipyramids. All La–C bond lengths are 2.83 Å. C+2.50- is bonded in a 5-coordinate geometry to four equivalent La3+ and one C+2.50- atom. The C–C bond length is 1.32 Å.
DOI: 10.17188/1654214
title: Materials Data on Cu3Mo2(HO5)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1654215
title: Materials Data on Rb3TbF6 by Materials Project

description: Rb3TbF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All Rb–F bond lengths are 2.80 Å. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.59 Å. Tb3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.19 Å) and two longer (2.23 Å) Tb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Tb3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Rb1+ and one Tb3+ atom.
DOI: 10.17188/1654217
title: Materials Data on BaLa4Mn5O15 by Materials Project

description: BaLa4Mn5O15 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with two equivalent BaO12 cuboctahedra, corners with ten LaO12 cuboctahedra, faces with six LaO12 cuboctahedra, and faces with eight MnO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.80–2.90 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with two equivalent BaO12 cuboctahedra, corners with ten LaO12 cuboctahedra, faces with two equivalent BaO12 cuboctahedra, faces with four LaO12 cuboctahedra, and faces with eight MnO6 octahedra. There are a spread of La–O bond distances ranging from 2.65–2.85 Å. In the second La3+ site, La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with three equivalent BaO12 cuboctahedra, corners with nine LaO12 cuboctahedra, a faceface with one BaO12 cuboctahedra, faces with five LaO12 cuboctahedra, and faces with eight MnO6 octahedra. There are a spread of La–O bond distances ranging from 2.65–2.82 Å. There are three inequivalent Mn+3.20+ sites. In the first Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six MnO6 octahedra, a faceface with one BaO12 cuboctahedra, and faces with seven LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Mn–O bond distances ranging from 1.96–1.98 Å. In the second Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six MnO6 octahedra, faces with two equivalent BaO12 cuboctahedra, and faces with six LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. There is four shorter (1.98 Å) and two longer (1.99 Å) Mn–O bond length. In the third Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six MnO6 octahedra, faces with two equivalent BaO12 cuboctahedra, and faces with six LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–6°. There is four shorter (1.97 Å) and two longer (1.99 Å) Mn–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.20+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four La3+ and two equivalent Mn+3.20+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to one Ba2+, three La3+, and two Mn+3.20+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Ba2+, three La3+, and two Mn+3.20+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four La3+ and two Mn+3.20+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one Ba2+, three La3+, and two Mn+3.20+ atoms.
DOI: 10.17188/1654218
title: Materials Data on Nd3GaFeSe7 by Materials Project

description: Nd3FeGaSe7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.97–3.25 Å. In the second Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.97–3.26 Å. In the third Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.97–3.23 Å. Fe2+ is bonded to six Se2- atoms to form face-sharing FeSe6 octahedra. There are a spread of Fe–Se bond distances ranging from 2.58–2.77 Å. Ga3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ga–Se bond distances ranging from 2.41–2.44 Å. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Nd3+ and one Ga3+ atom. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Nd3+ and one Ga3+ atom. In the third Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Nd3+ and one Ga3+ atom. In the fourth Se2- site, Se2- is bonded to three Nd3+ and one Ga3+ atom to form distorted corner-sharing SeNd3Ga tetrahedra. In the fifth Se2- site, Se2- is bonded to three Nd3+ and two equivalent Fe2+ atoms to form distorted SeNd3Fe2 square pyramids that share corners with two equivalent SeNd3Fe2 square pyramids, corners with three equivalent SeNd3Ga tetrahedra, edges with four SeNd3Fe2 square pyramids, and faces with two SeNd3Fe2 square pyramids. In the sixth Se2- site, Se2- is bonded to three Nd3+ and two equivalent Fe2+ atoms to form distorted SeNd3Fe2 square pyramids that share corners with two equivalent SeNd3Fe2 square pyramids, corners with three equivalent SeNd3Ga tetrahedra, edges with four SeNd3Fe2 square pyramids, and faces with two SeNd3Fe2 square pyramids. In the seventh Se2- site, Se2- is bonded to three Nd3+ and two equivalent Fe2+ atoms to form distorted SeNd3Fe2 square pyramids that share corners with two equivalent SeNd3Fe2 square pyramids, corners with three equivalent SeNd3Ga tetrahedra, edges with four SeNd3Fe2 square pyramids, and faces with two SeNd3Fe2 square pyramids.
DOI: 10.17188/1654219
title: Materials Data on Cs2Hg2H2I4Br2O by Materials Project

description: Cs2Hg2H2OI4Br2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to one O2-, five I1-, and three Br1- atoms. The Cs–O bond length is 3.38 Å. There are a spread of Cs–I bond distances ranging from 4.08–4.30 Å. There are a spread of Cs–Br bond distances ranging from 3.70–4.14 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to one O2-, five I1-, and two Br1- atoms. The Cs–O bond length is 3.35 Å. There are a spread of Cs–I bond distances ranging from 3.91–4.31 Å. There are one shorter (3.68 Å) and one longer (3.76 Å) Cs–Br bond lengths. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to three I1- and two Br1- atoms. There are two shorter (2.70 Å) and one longer (3.83 Å) Hg–I bond lengths. There are one shorter (2.91 Å) and one longer (3.24 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded in a tetrahedral geometry to two I1- and two Br1- atoms. There are one shorter (2.75 Å) and one longer (2.77 Å) Hg–I bond lengths. There are one shorter (2.81 Å) and one longer (2.84 Å) Hg–Br bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to two Cs1+ and two H1+ atoms. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and two equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a distorted single-bond geometry to two Cs1+ and one Hg2+ atom. In the third I1- site, I1- is bonded in a distorted single-bond geometry to three Cs1+ and one Hg2+ atom. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to three Cs1+ and one Hg2+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to two Cs1+ and two Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to three Cs1+ and two Hg2+ atoms.
DOI: 10.17188/1654220
title: Materials Data on CoCu2O3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1654221
title: Materials Data on LiGdS2 by Materials Project

description: LiGdS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with six equivalent GdS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent GdS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–S bond lengths are 2.76 Å. Gd3+ is bonded to six equivalent S2- atoms to form GdS6 octahedra that share corners with six equivalent LiS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent GdS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–S bond lengths are 2.76 Å. S2- is bonded to three equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of edge and corner-sharing SLi3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1654222
title: Materials Data on LiVOF3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1654225
title: Materials Data on US2O9 by Materials Project

description: US2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with five SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.78–2.48 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids and a cornercorner with one SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.45–1.62 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids and a cornercorner with one SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.43–1.70 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S6+ atom.
DOI: 10.17188/1654226
title: Materials Data on FeC4S2N3O5 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1654227
title: Materials Data on La7(BrO6)3 by Materials Project

description: La7O18(Br)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of six hydrobromic acid molecules and one La7O18 framework. In the La7O18 framework, there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.51 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.47–2.80 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.48 Å) and six longer (2.59 Å) La–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one O2- atom. The O–O bond length is 1.48 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one O2- atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ atoms.