cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1199169
title: Materials Data on UNCl by Materials Project

description: UNCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to four equivalent N3- and five equivalent Cl1- atoms. All U–N bond lengths are 2.25 Å. There are four shorter (3.12 Å) and one longer (3.33 Å) U–Cl bond lengths. N3- is bonded to four equivalent U4+ atoms to form a mixture of edge and corner-sharing NU4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent U4+ atoms.
DOI: 10.17188/1199170
title: Materials Data on AsRh2 by Materials Project

description: Rh2As is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rh is bonded to four equivalent As atoms to form a mixture of distorted corner and edge-sharing RhAs4 tetrahedra. All Rh–As bond lengths are 2.49 Å. As is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1199171
title: Materials Data on BiSeI by Materials Project

description: BiSeI crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two BiSeI ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to three equivalent Se2- and two equivalent I1- atoms to form distorted edge-sharing BiSe3I2 square pyramids. There are one shorter (2.74 Å) and two longer (2.90 Å) Bi–Se bond lengths. Both Bi–I bond lengths are 3.24 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms.
DOI: 10.17188/1199172
title: Materials Data on K2ReBr6 by Materials Project

description: K2ReBr6 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, and faces with four equivalent ReBr6 octahedra. All K–Br bond lengths are 3.78 Å. Re4+ is bonded to six equivalent Br1- atoms to form ReBr6 octahedra that share faces with eight equivalent KBr12 cuboctahedra. All Re–Br bond lengths are 2.54 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Re4+ atom.
DOI: 10.17188/1199173
title: Materials Data on KClO3 by Materials Project

description: KClO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.86–3.18 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three equivalent K and one Cl atom. The O–Cl bond length is 1.51 Å. In the second O site, O is bonded to three equivalent K and one Cl atom to form a mixture of distorted edge and corner-sharing OK3Cl tetrahedra. The O–Cl bond length is 1.51 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.
DOI: 10.17188/1199174
title: Materials Data on LaBrO by Materials Project

description: LaOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one LaOBr sheet oriented in the (0, 0, 1) direction. La3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All La–O bond lengths are 2.40 Å. All La–Br bond lengths are 3.32 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms.
DOI: 10.17188/1199175
title: Materials Data on SrBrF by Materials Project

description: SrFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to five equivalent Br1- and four equivalent F1- atoms. There are four shorter (3.26 Å) and one longer (3.47 Å) Sr–Br bond lengths. All Sr–F bond lengths are 2.54 Å. Br1- is bonded in a 5-coordinate geometry to five equivalent Sr2+ and four equivalent F1- atoms. All Br–F bond lengths are 3.40 Å. F1- is bonded to four equivalent Sr2+ and four equivalent Br1- atoms to form a mixture of face and edge-sharing FSr4Br4 tetrahedra.
DOI: 10.17188/1199176
title: Materials Data on LaClO by Materials Project

description: LaOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All La–O bond lengths are 2.39 Å. There are one shorter (3.18 Å) and four longer (3.22 Å) La–Cl bond lengths. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent La3+ atoms.
DOI: 10.17188/1199177
title: Materials Data on CsAuCl3 by Materials Project

description: CsAuCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent AuCl6 octahedra. All Cs–Cl bond lengths are 3.68 Å. Au2+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.60 Å. Cl1- is bonded to four equivalent Cs1+ and two equivalent Au2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClCs4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1199178
title: Materials Data on Cs3Sb2I9 by Materials Project

description: Cs3Sb2I9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve I1- atoms to form CsI12 cuboctahedra that share corners with nine CsI12 cuboctahedra, corners with three equivalent SbI6 octahedra, faces with seven CsI12 cuboctahedra, and faces with four equivalent SbI6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Cs–I bond distances ranging from 4.27–4.49 Å. In the second Cs1+ site, Cs1+ is bonded to twelve I1- atoms to form CsI12 cuboctahedra that share corners with twelve CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with six equivalent SbI6 octahedra. There are six shorter (4.29 Å) and six longer (4.39 Å) Cs–I bond lengths. Sb3+ is bonded to six I1- atoms to form SbI6 octahedra that share corners with three equivalent CsI12 cuboctahedra, faces with seven CsI12 cuboctahedra, and a faceface with one SbI6 octahedra. There are three shorter (2.93 Å) and three longer (3.21 Å) Sb–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to four Cs1+ and one Sb3+ atom. In the second I1- site, I1- is bonded in a 6-coordinate geometry to four Cs1+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1199179
title: Materials Data on DyZn by Materials Project

description: DyZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Dy–Zn bond lengths are 3.09 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1199180
title: Materials Data on CsCuCl3 by Materials Project

description: CsCuCl3 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.66–3.76 Å. Cu2+ is bonded to six Cl1- atoms to form distorted face-sharing CuCl6 octahedra. There are a spread of Cu–Cl bond distances ranging from 2.30–2.89 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cs1+ and two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1199181
title: Materials Data on Sr2NCl by Materials Project

description: Sr2NCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing SrN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–N bond lengths are 2.63 Å. All Sr–Cl bond lengths are 3.16 Å. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent ClSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent ClSr6 octahedra. The corner-sharing octahedral tilt angles are 13°. Cl1- is bonded to six equivalent Sr2+ atoms to form distorted ClSr6 octahedra that share corners with six equivalent NSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent ClSr6 octahedra. The corner-sharing octahedral tilt angles are 13°.
DOI: 10.17188/1199182
title: Materials Data on SrZnCl4 by Materials Project

description: SrZnCl4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are four shorter (3.00 Å) and four longer (3.11 Å) Sr–Cl bond lengths. Zn2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Zn–Cl bond lengths are 2.31 Å. Cl1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Zn2+ atom.
DOI: 10.17188/1199183
title: Materials Data on K2SeBr6 by Materials Project

description: K2SeBr6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight potassium molecules and four SeBr6 clusters. In each SeBr6 cluster, Se2- is bonded in an octahedral geometry to six equivalent Br atoms. All Se–Br bond lengths are 2.60 Å. Br is bonded in a single-bond geometry to one Se2- atom.
DOI: 10.17188/1199184
title: Materials Data on CsPbCl3 by Materials Project

description: CsPbCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent PbCl6 octahedra. All Cs–Cl bond lengths are 4.05 Å. Pb2+ is bonded to six equivalent Cl1- atoms to form PbCl6 octahedra that share corners with six equivalent PbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Cl bond lengths are 2.87 Å. Cl1- is bonded to four equivalent Cs1+ and two equivalent Pb2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1199185
title: Materials Data on CsVBr3 by Materials Project

description: CsVBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with six equivalent CsBr12 cuboctahedra, corners with six equivalent VBr6 octahedra, faces with eight equivalent CsBr12 cuboctahedra, and faces with six equivalent VBr6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.87 Å) and six longer (4.06 Å) Cs–Br bond lengths. V2+ is bonded to six equivalent Br1- atoms to form VBr6 octahedra that share corners with six equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with two equivalent VBr6 octahedra. All V–Br bond lengths are 2.65 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent V2+ atoms.
DOI: 10.17188/1199186
title: Materials Data on Er6MnBi2 by Materials Project

description: Er6MnBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to two equivalent Mn and two equivalent Bi atoms to form a mixture of distorted edge and corner-sharing ErMn2Bi2 tetrahedra. Both Er–Mn bond lengths are 2.87 Å. Both Er–Bi bond lengths are 3.24 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to one Mn and four equivalent Bi atoms. The Er–Mn bond length is 3.21 Å. All Er–Bi bond lengths are 3.32 Å. Mn is bonded in a 9-coordinate geometry to nine Er atoms. Bi is bonded in a 9-coordinate geometry to nine Er atoms.
DOI: 10.17188/1199187
title: Materials Data on Ca2PI by Materials Project

description: Ca2PI is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to three equivalent P3- and three equivalent I1- atoms to form a mixture of corner and edge-sharing CaP3I3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–P bond lengths are 2.86 Å. All Ca–I bond lengths are 3.41 Å. P3- is bonded to six equivalent Ca2+ atoms to form PCa6 octahedra that share corners with six equivalent ICa6 octahedra, edges with six equivalent PCa6 octahedra, and edges with six equivalent ICa6 octahedra. The corner-sharing octahedral tilt angles are 14°. I1- is bonded to six equivalent Ca2+ atoms to form distorted ICa6 octahedra that share corners with six equivalent PCa6 octahedra, edges with six equivalent PCa6 octahedra, and edges with six equivalent ICa6 octahedra. The corner-sharing octahedral tilt angles are 14°.
DOI: 10.17188/1199188
title: Materials Data on SbSI by Materials Project

description: SbSI crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SbSI ribbons oriented in the (1, 0, 0) direction. Sb3+ is bonded to three equivalent S2- and two equivalent I1- atoms to form edge-sharing SbS3I2 square pyramids. There are one shorter (2.49 Å) and two longer (2.73 Å) Sb–S bond lengths. Both Sb–I bond lengths are 3.13 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms.
DOI: 10.17188/1199189
title: Materials Data on RbPb2Br5 by Materials Project

description: RbPb2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are eight shorter (3.73 Å) and two longer (3.84 Å) Rb–Br bond lengths. Pb2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.93–3.41 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent Rb1+ and four equivalent Pb2+ atoms to form corner-sharing BrRb2Pb4 octahedra. The corner-sharing octahedra tilt angles range from 0–37°.
DOI: 10.17188/1199190
title: Materials Data on SrIF by Materials Project

description: SrIF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SrIF sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four equivalent I1- and four equivalent F1- atoms. All Sr–I bond lengths are 3.44 Å. All Sr–F bond lengths are 2.54 Å. I1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.
DOI: 10.17188/1199191
title: Materials Data on Ho6MnBi2 by Materials Project

description: Ho6MnBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to two equivalent Mn and two equivalent Bi atoms to form a mixture of distorted edge and corner-sharing HoMn2Bi2 tetrahedra. Both Ho–Mn bond lengths are 2.88 Å. Both Ho–Bi bond lengths are 3.26 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Mn and four equivalent Bi atoms. The Ho–Mn bond length is 3.25 Å. All Ho–Bi bond lengths are 3.33 Å. Mn is bonded in a 9-coordinate geometry to nine Ho atoms. Bi is bonded in a 9-coordinate geometry to nine Ho atoms.
DOI: 10.17188/1199192
title: Materials Data on CsMnBr3 by Materials Project

description: CsMnBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with six equivalent CsBr12 cuboctahedra, corners with six equivalent MnBr6 octahedra, faces with eight equivalent CsBr12 cuboctahedra, and faces with six equivalent MnBr6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.93 Å) and six longer (4.08 Å) Cs–Br bond lengths. Mn2+ is bonded to six equivalent Br1- atoms to form MnBr6 octahedra that share corners with six equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with two equivalent MnBr6 octahedra. All Mn–Br bond lengths are 2.70 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1199193
title: Materials Data on KMnCl3 by Materials Project

description: KMnCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.43 Å. Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedra tilt angles range from 19–24°. There are four shorter (2.56 Å) and two longer (2.57 Å) Mn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1199194
title: Materials Data on MoC by Materials Project

description: MoC is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent C4- atoms to form a mixture of distorted edge, face, and corner-sharing MoC6 pentagonal pyramids. All Mo–C bond lengths are 2.20 Å. C4- is bonded to six equivalent Mo4+ atoms to form a mixture of distorted edge, face, and corner-sharing CMo6 pentagonal pyramids.
DOI: 10.17188/1199195
title: Materials Data on GdClO by Materials Project

description: GdOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Gd–O bond lengths are 2.29 Å. There are one shorter (3.08 Å) and four longer (3.12 Å) Gd–Cl bond lengths. O2- is bonded to four equivalent Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Gd3+ atoms.
DOI: 10.17188/1199196
title: Materials Data on NbSeI by Materials Project

description: NbSeI crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb3+ is bonded to three equivalent Se2- and three equivalent I1- atoms to form distorted edge-sharing NbSe3I3 octahedra. All Nb–Se bond lengths are 2.56 Å. All Nb–I bond lengths are 3.04 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb3+ atoms. I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb3+ atoms.
DOI: 10.17188/1199197
title: Materials Data on ZrIN by Materials Project

description: ZrNI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ZrNI sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent I1- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) Zr–N bond lengths. Both Zr–I bond lengths are 2.99 Å. N3- is bonded in a distorted see-saw-like geometry to four equivalent Zr4+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Zr4+ atoms.
DOI: 10.17188/1199198
title: Materials Data on PbICl by Materials Project

description: PbICl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to five equivalent I1- and four equivalent Cl1- atoms. There are a spread of Pb–I bond distances ranging from 3.41–3.63 Å. There are a spread of Pb–Cl bond distances ranging from 2.93–3.41 Å. I1- is bonded in a 2-coordinate geometry to five equivalent Pb2+, two equivalent I1-, and six equivalent Cl1- atoms. Both I–I bond lengths are 4.11 Å. There are a spread of I–Cl bond distances ranging from 3.75–3.97 Å. Cl1- is bonded in a 4-coordinate geometry to four equivalent Pb2+ and six equivalent I1- atoms.
DOI: 10.17188/1199199
title: Materials Data on NaBiO3 by Materials Project

description: NaBiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with nine equivalent BiO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.39 Å) and three longer (2.60 Å) Na–O bond lengths. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with nine equivalent NaO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.14 Å) and three longer (2.18 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Na1+ and two equivalent Bi5+ atoms.
DOI: 10.17188/1199200
title: Materials Data on RbCuCl3 by Materials Project

description: RbCuCl3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.42–3.96 Å. Cu2+ is bonded to six Cl1- atoms to form distorted face-sharing CuCl6 octahedra. There are a spread of Cu–Cl bond distances ranging from 2.30–2.89 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to four equivalent Rb1+ and two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1199201
title: Materials Data on Sr2BrN by Materials Project

description: Sr2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to three equivalent N3- and three equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing SrBr3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–N bond lengths are 2.65 Å. All Sr–Br bond lengths are 3.29 Å. N3- is bonded to six equivalent Sr2+ atoms to form edge-sharing NSr6 octahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Sr2+ atoms.