cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1742187
title: Materials Data on La4CuNiO8 by Materials Project

description: La4NiCuO8 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first 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 2.37–2.78 Å. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.27–2.82 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent NiO6 octahedra and corners with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Ni–O bond distances ranging from 1.93–2.29 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent NiO6 octahedra and corners with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Cu–O bond distances ranging from 1.90–2.41 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to five La3+ and one Ni2+ atom to form distorted OLa5Ni octahedra that share corners with thirteen OLa5Ni octahedra, edges with four equivalent OLa5Ni octahedra, and faces with four OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Cu2+ atom. In the third O2- site, O2- is bonded to four La3+ and two equivalent Cu2+ atoms to form distorted OLa4Cu2 octahedra that share corners with twelve OLa4Cu2 octahedra, edges with two equivalent OLa4Ni2 octahedra, and faces with four equivalent OLa4CuNi octahedra. The corner-sharing octahedra tilt angles range from 0–51°. In the fourth O2- site, O2- is bonded to four La3+ and two equivalent Ni2+ atoms to form distorted OLa4Ni2 octahedra that share corners with four OLa4Ni2 octahedra, edges with two equivalent OLa4Cu2 octahedra, and faces with eight OLa4CuNi octahedra. The corner-sharing octahedra tilt angles range from 0–48°. In the fifth O2- site, O2- is bonded to four La3+, one Ni2+, and one Cu2+ atom to form distorted OLa4CuNi octahedra that share corners with eight OLa4CuNi octahedra, edges with two equivalent OLa4CuNi octahedra, and faces with six OLa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–50°.
DOI: 10.17188/1742188
title: Materials Data on Mn3(O2F)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: 10.17188/1742189
title: Materials Data on HfCrCuS4 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: 10.17188/1742190
title: Materials Data on Zn3(NO5)2 by Materials Project

description: Zn3(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Zn3(NO5)2 sheet oriented in the (1, 0, 0) direction. there are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted see-saw-like geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.91–1.99 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.94–2.06 Å. In the third Zn site, Zn is bonded to six O atoms to form distorted edge-sharing ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.38 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.24 Å) and one longer (1.30 Å) N–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Zn and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Zn atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Zn atoms. In the sixth O site, O is bonded in a 1-coordinate geometry to one Zn and one N atom. In the seventh O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the tenth O site, O is bonded in a single-bond geometry to one N atom.
DOI: 10.17188/1742191
title: Materials Data on Tb4Cu5P7 by Materials Project

description: Tb4Cu4P7Cu crystallizes in the tetragonal I4mm space group. The structure is three-dimensional and consists of two copper molecules and one Tb4Cu4P7 framework. In the Tb4Cu4P7 framework, there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.92 Å) and four longer (3.03 Å) Tb–P bond lengths. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.84 Å) and four longer (2.88 Å) Tb–P bond lengths. In the third Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to six P3- atoms. All Tb–P bond lengths are 2.91 Å. Cu+1.80+ is bonded in a distorted trigonal non-coplanar geometry to three P3- atoms. There are two shorter (2.37 Å) and one longer (2.41 Å) Cu–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to four Tb3+ and two equivalent P3- atoms. Both P–P bond lengths are 2.37 Å. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent Tb3+ and four equivalent Cu+1.80+ atoms. In the third P3- site, P3- is bonded in a 8-coordinate geometry to four Tb3+ and four equivalent Cu+1.80+ atoms.
DOI: 10.17188/1742192
title: Materials Data on Na3Fe2(PO4)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: 10.17188/1742193
title: Materials Data on YbLuB24 by Materials Project

description: LuYbB24 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to twenty-four B+0.25- atoms. All Lu–B bond lengths are 2.78 Å. Yb3+ is bonded in a 12-coordinate geometry to twenty-four B+0.25- atoms. All Yb–B bond lengths are 2.78 Å. There are three inequivalent B+0.25- sites. In the first B+0.25- site, B+0.25- is bonded in a 7-coordinate geometry to one Lu3+, one Yb3+, and five B+0.25- atoms. There are a spread of B–B bond distances ranging from 1.72–1.79 Å. In the second B+0.25- site, B+0.25- is bonded in a 7-coordinate geometry to two equivalent Yb3+ and five B+0.25- atoms. There is one shorter (1.72 Å) and two longer (1.78 Å) B–B bond length. In the third B+0.25- site, B+0.25- is bonded in a 7-coordinate geometry to two equivalent Lu3+ and five B+0.25- atoms. There is one shorter (1.72 Å) and two longer (1.78 Å) B–B bond length.
DOI: 10.17188/1742194
title: Materials Data on MnCd6O8 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: 10.17188/1742196
title: Materials Data on CsDySiS4 by Materials Project

description: CsDySiS4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.48–3.89 Å. Dy3+ is bonded to seven S2- atoms to form distorted DyS7 pentagonal bipyramids that share corners with two equivalent DyS7 pentagonal bipyramids, a cornercorner with one SiS4 tetrahedra, edges with two equivalent DyS7 pentagonal bipyramids, and edges with three equivalent SiS4 tetrahedra. There are a spread of Dy–S bond distances ranging from 2.78–2.97 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share a cornercorner with one DyS7 pentagonal bipyramid and edges with three equivalent DyS7 pentagonal bipyramids. There are a spread of Si–S bond distances ranging from 2.11–2.15 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Cs1+, one Dy3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Cs1+, two equivalent Dy3+, and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two equivalent Dy3+, and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Cs1+, two equivalent Dy3+, and one Si4+ atom.
DOI: 10.17188/1742197
title: Materials Data on K2Cu(IF)2 by Materials Project

description: K2Cu(IF)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to two equivalent I1- and four equivalent F1- atoms. Both K–I bond lengths are 3.76 Å. All K–F bond lengths are 2.65 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Cu–I bond lengths are 2.65 Å. I1- is bonded in a distorted square co-planar geometry to two equivalent K1+ and two equivalent Cu2+ atoms. F1- is bonded in a square co-planar geometry to four equivalent K1+ atoms.
DOI: 10.17188/1742198
title: Materials Data on PmGdIn2 by Materials Project

description: GdPmIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Gd–In bond lengths are 3.32 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pm–In bond lengths are 3.32 Å. In is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Pm atoms.
DOI: 10.17188/1742199
title: Materials Data on GaAg3F6 by Materials Project

description: Ag3GaF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to twelve equivalent F1- atoms to form AgF12 cuboctahedra that share corners with twelve equivalent AgF12 cuboctahedra, faces with six equivalent AgF12 cuboctahedra, faces with four equivalent AgF6 octahedra, and faces with four equivalent GaF6 octahedra. All Ag–F bond lengths are 3.03 Å. In the second Ag1+ site, Ag1+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.36 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.91 Å. F1- is bonded in a distorted linear geometry to five Ag1+ and one Ga3+ atom.
DOI: 10.17188/1742200
title: Materials Data on Fe3H4(OF4)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: 10.17188/1742203
title: Materials Data on Sc4Co4Ge7 by Materials Project

description: Sc4Co4Ge7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.73–2.93 Å. In the second Sc site, Sc is bonded to seven Ge atoms to form distorted ScGe7 pentagonal bipyramids that share corners with eight equivalent CoGe6 cuboctahedra, corners with two equivalent ScGe7 pentagonal bipyramids, an edgeedge with one ScGe7 pentagonal bipyramid, faces with four equivalent CoGe6 cuboctahedra, and faces with two equivalent ScGe7 pentagonal bipyramids. There are a spread of Sc–Ge bond distances ranging from 2.75–2.91 Å. Co is bonded to six Ge atoms to form distorted CoGe6 cuboctahedra that share corners with six equivalent CoGe6 cuboctahedra, corners with four equivalent ScGe7 pentagonal bipyramids, edges with three equivalent CoGe6 cuboctahedra, faces with two equivalent CoGe6 cuboctahedra, and faces with two equivalent ScGe7 pentagonal bipyramids. There are a spread of Co–Ge bond distances ranging from 2.45–2.49 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Sc and four equivalent Co atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Sc and four equivalent Co atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to one Sc, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to eight Sc and two equivalent Ge atoms. There are one shorter (2.59 Å) and one longer (2.64 Å) Ge–Ge bond lengths.
DOI: 10.17188/1742204
title: Materials Data on LiV3OF11 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: 10.17188/1742205
title: Materials Data on Ba6Y2Fe4O15 by Materials Project

description: Ba6Y2Fe4O15 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.16 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–3.05 Å. In the third Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.16 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.56–3.36 Å. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with six FeO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.25–2.38 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 8–38°. There are a spread of Fe–O bond distances ranging from 1.90–1.93 Å. In the second Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with two equivalent YO6 octahedra and a cornercorner with one FeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–38°. There are a spread of Fe–O bond distances ranging from 1.86–1.91 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ba2+, one Y3+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Y3+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Y3+, and one Fe3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Y3+, and one Fe3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Ba2+ and one Fe3+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Fe3+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+, one Y3+, and one Fe3+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Y3+, and one Fe3+ atom.
DOI: 10.17188/1742206
title: Materials Data on Nd2Mn3FeSi4 by Materials Project

description: Nd2Mn3FeSi4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight Si4- atoms. There are four shorter (3.09 Å) and four longer (3.10 Å) Nd–Si bond lengths. There are two inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.37 Å. In the second Mn+2.33+ site, Mn+2.33+ is bonded to four equivalent Si4- atoms to form MnSi4 tetrahedra that share corners with four equivalent MnSi4 tetrahedra and edges with four equivalent FeSi4 tetrahedra. All Mn–Si bond lengths are 2.35 Å. Fe3+ is bonded to four equivalent Si4- atoms to form FeSi4 tetrahedra that share corners with four equivalent FeSi4 tetrahedra and edges with four equivalent MnSi4 tetrahedra. All Fe–Si bond lengths are 2.35 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, two equivalent Mn+2.33+, two equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.64 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Mn+2.33+, and one Si4- atom.
DOI: 10.17188/1742207
title: Materials Data on LiCoPO4 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: 10.17188/1742208
title: Materials Data on Ba2NbCoO6 by Materials Project

description: Ba2NbCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent CoO6 octahedra. All Ba–O bond lengths are 2.85 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.03 Å. Co3+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Nb5+, and one Co3+ atom.
DOI: 10.17188/1742209
title: Materials Data on Mn5Fe5C4 by Materials Project

description: Mn5Fe5C4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Mn–C bond distances ranging from 1.97–2.27 Å. In the second Mn site, Mn is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Mn–C bond distances ranging from 1.98–2.25 Å. In the third Mn site, Mn is bonded in a 2-coordinate geometry to three C atoms. There are two shorter (1.98 Å) and one longer (2.25 Å) Mn–C bond lengths. In the fourth Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are a spread of Mn–C bond distances ranging from 2.00–2.03 Å. In the fifth Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are three shorter (2.01 Å) and one longer (2.03 Å) Mn–C bond lengths. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.96 Å) and one longer (2.01 Å) Fe–C bond length. In the second Fe site, Fe is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.96 Å) and one longer (2.02 Å) Fe–C bond length. In the third Fe site, Fe is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.96 Å) and one longer (2.02 Å) Fe–C bond length. In the fourth Fe site, Fe is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.95 Å) and one longer (2.02 Å) Fe–C bond length. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Fe–C bond distances ranging from 1.96–2.29 Å. There are four inequivalent C sites. In the first C site, C is bonded in a 7-coordinate geometry to four Mn and three Fe atoms. In the second C site, C is bonded in a 6-coordinate geometry to four Mn and three Fe atoms. In the third C site, C is bonded in a 7-coordinate geometry to five Mn and two Fe atoms. In the fourth C site, C is bonded in a 7-coordinate geometry to four Mn and three Fe atoms.
DOI: 10.17188/1742210
title: Materials Data on SmGaGe2O7 by Materials Project

description: SmGaGe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–2.78 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with five GeO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.87–2.02 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent GaO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.72–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent GaO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.83 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sm3+, one Ga3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sm3+, one Ga3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sm3+, one Ga3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+, one Ga3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+, one Ga3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sm3+ and two Ge4+ atoms.