cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1279866
title: Materials Data on K3VO4 (SG:198) 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: 10.17188/1279867
title: Materials Data on Fe2Re3 by Materials Project

description: Re3Fe2 is beta-derived structured and crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Re is bonded in a 12-coordinate geometry to six equivalent Re and six equivalent Fe atoms. There are four shorter (2.66 Å) and two longer (2.77 Å) Re–Re bond lengths. There are a spread of Re–Fe bond distances ranging from 2.61–2.71 Å. Fe is bonded to nine equivalent Re and three equivalent Fe atoms to form a mixture of face and corner-sharing FeFe3Re9 cuboctahedra. All Fe–Fe bond lengths are 2.41 Å.
DOI: 10.17188/1279868
title: Materials Data on Ta3Ge by Materials Project

description: Ta3Ge crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.62–2.70 Å. In the second Ta site, Ta is bonded in a 2-coordinate geometry to two equivalent Ge atoms. There are one shorter (2.64 Å) and one longer (2.69 Å) Ta–Ge bond lengths. In the third Ta site, Ta is bonded in a 2-coordinate geometry to three equivalent Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.62–2.93 Å. Ge is bonded in a 9-coordinate geometry to nine Ta atoms.
DOI: 10.17188/1279869
title: Materials Data on KIrO3 by Materials Project

description: KIrO3 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.71 Å) and three longer (2.90 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.63 Å. Ir5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Ir–O bond distances ranging from 1.96–2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two equivalent Ir5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Ir5+ atoms.
DOI: 10.17188/1279870
title: Materials Data on C2SeN2 by Materials Project

description: C2N2Se crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of four C2N2Se sheets oriented in the (0, 0, 1) direction. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.17 Å. The C–Se bond length is 1.87 Å. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.17 Å. The C–Se bond length is 1.87 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ and one Se2- atom. The N–Se bond length is 2.78 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one Se2- atom. The N–Se bond length is 2.72 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to two C4+ and two N3- atoms.
DOI: 10.17188/1279871
title: Materials Data on CeGaPd2 by Materials Project

description: CePd2Ga crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ga atoms. There are a spread of Ce–Pd bond distances ranging from 3.07–3.37 Å. There are a spread of Ce–Ga bond distances ranging from 3.09–3.20 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Ce and three equivalent Ga atoms. There are two shorter (2.58 Å) and one longer (2.71 Å) Pd–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Pd atoms.
DOI: 10.17188/1279872
title: Materials Data on Ta2Al by Materials Project

description: Ta2Al is beta Plutonium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 11-coordinate geometry to nine Ta and five Al atoms. There are a spread of Ta–Ta bond distances ranging from 2.69–3.30 Å. There are a spread of Ta–Al bond distances ranging from 2.97–3.13 Å. In the second Ta site, Ta is bonded in a 12-coordinate geometry to seven Ta and five Al atoms. There are one shorter (2.82 Å) and two longer (3.19 Å) Ta–Ta bond lengths. There are a spread of Ta–Al bond distances ranging from 2.68–2.90 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to eleven Ta and four Al atoms. The Ta–Ta bond length is 2.72 Å. There are two shorter (2.72 Å) and two longer (3.03 Å) Ta–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to nine Ta and one Al atom. The Al–Al bond length is 2.79 Å. In the second Al site, Al is bonded to twelve Ta atoms to form edge-sharing AlTa12 cuboctahedra.
DOI: 10.17188/1279873
title: Materials Data on U2SnRh2 by Materials Project

description: U2Rh2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Rh and four equivalent Sn atoms. There are two shorter (2.77 Å) and four longer (2.95 Å) U–Rh bond lengths. All U–Sn bond lengths are 3.36 Å. Rh is bonded in a 6-coordinate geometry to six equivalent U and two equivalent Sn atoms. Both Rh–Sn bond lengths are 2.97 Å. Sn is bonded to eight equivalent U and four equivalent Rh atoms to form a mixture of face and corner-sharing SnU8Rh4 cuboctahedra.
DOI: 10.17188/1279874
title: Materials Data on GdMn12 by Materials Project

description: GdMn12 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Gd–Mn bond distances ranging from 2.98–3.17 Å. There are ten inequivalent Mn sites. In the first Mn site, Mn is bonded in a 1-coordinate geometry to one Gd and thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.29–2.83 Å. In the second Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.38–2.68 Å. In the third Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.39–2.69 Å. In the fourth Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.37–2.68 Å. In the fifth Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.31–2.56 Å. In the sixth Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.40–2.57 Å. In the seventh Mn site, Mn is bonded in a 1-coordinate geometry to one Gd and thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.28–2.82 Å. In the eighth Mn site, Mn is bonded in a 1-coordinate geometry to one Gd and thirteen Mn atoms. There are two shorter (2.58 Å) and two longer (2.82 Å) Mn–Mn bond lengths. In the ninth Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are two shorter (2.31 Å) and one longer (2.58 Å) Mn–Mn bond lengths. In the tenth Mn site, Mn is bonded in a 1-coordinate geometry to one Gd and thirteen Mn atoms.
DOI: 10.7910/dvn/gnqrkb
title: Electoral legitimacy and the sore loser: candidate opinion and trust in elections in Mexico, 2006-2018

description: datasets and code
DOI: 10.17188/1279875
title: Materials Data on K(GeSe2)2 by Materials Project

description: K(GeSe2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.38–3.95 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.98 Å. There are four inequivalent Ge+3.50+ sites. In the first Ge+3.50+ site, Ge+3.50+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.38–2.47 Å. In the second Ge+3.50+ site, Ge+3.50+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.35–2.47 Å. In the third Ge+3.50+ site, Ge+3.50+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.40–2.46 Å. In the fourth Ge+3.50+ site, Ge+3.50+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are two shorter (2.63 Å) and two longer (2.64 Å) Ge–Se bond lengths. There are eight inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to one K1+ and two Ge+3.50+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to two K1+ and two Ge+3.50+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two K1+ and two Ge+3.50+ atoms. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to three K1+ and two Ge+3.50+ atoms. In the fifth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Ge+3.50+ atoms. In the sixth Se2- site, Se2- is bonded in a 3-coordinate geometry to one K1+ and two Ge+3.50+ atoms. In the seventh Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent K1+ and two Ge+3.50+ atoms. In the eighth Se2- site, Se2- is bonded in a 2-coordinate geometry to one K1+ and two Ge+3.50+ atoms.
DOI: 10.17188/1279876
title: Materials Data on Ce3MoO7 by Materials Project

description: Ce3MoO7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to seven O2- atoms to form distorted CeO7 pentagonal bipyramids that share corners with two equivalent MoO6 octahedra, corners with three CeO7 pentagonal bipyramids, edges with two equivalent MoO6 octahedra, and edges with two equivalent CeO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 32–44°. There are a spread of Ce–O bond distances ranging from 2.25–2.57 Å. In the second Ce3+ site, Ce3+ is bonded to seven O2- atoms to form CeO7 pentagonal bipyramids that share corners with two equivalent MoO6 octahedra, corners with three CeO7 pentagonal bipyramids, edges with two equivalent MoO6 octahedra, and edges with two equivalent CeO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–46°. There are a spread of Ce–O bond distances ranging from 2.26–2.48 Å. In the third Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.76 Å. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with four CeO7 pentagonal bipyramids, and edges with four CeO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are a spread of Mo–O bond distances ranging from 2.08–2.18 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ce3+ and one Mo5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Ce3+ and one Mo5+ atom. In the third O2- site, O2- is bonded to three Ce3+ and one Mo5+ atom to form a mixture of distorted corner and edge-sharing OCe3Mo tetrahedra. In the fourth O2- site, O2- is bonded to three Ce3+ and one Mo5+ atom to form distorted OCe3Mo tetrahedra that share corners with four OCe4 tetrahedra and edges with four OCe3Mo tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two equivalent Mo5+ atoms. In the sixth O2- site, O2- is bonded to four Ce3+ atoms to form OCe4 tetrahedra that share corners with ten OCe3Mo tetrahedra and edges with three OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ce3+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra.
DOI: 10.17188/1279877
title: Materials Data on Y(Sn3Ru2)2 by Materials Project

description: YRu4Sn6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Ru and twelve Sn atoms. All Y–Ru bond lengths are 3.29 Å. There are a spread of Y–Sn bond distances ranging from 3.38–3.77 Å. Ru is bonded in a 7-coordinate geometry to one Y, two equivalent Ru, and six Sn atoms. Both Ru–Ru bond lengths are 2.84 Å. There are a spread of Ru–Sn bond distances ranging from 2.60–2.81 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Y and four equivalent Ru atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Y and four equivalent Ru atoms.
DOI: 10.17188/1279878
title: Materials Data on Ce by Materials Project

description: Ce is alpha U structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing CeCe12 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 2.92–3.59 Å.
DOI: 10.17188/1279879
title: Materials Data on HfInNi2 by Materials Project

description: HfNi2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Ni and six equivalent In atoms. All Hf–Ni bond lengths are 2.68 Å. All Hf–In bond lengths are 3.10 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent In atoms. All Ni–In bond lengths are 2.68 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Hf and eight equivalent Ni atoms.
DOI: 10.17188/1279880
title: Materials Data on Pu2InRh2 by Materials Project

description: Pu2Rh2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pu is bonded in a 6-coordinate geometry to six equivalent Rh and four equivalent In atoms. There are two shorter (2.81 Å) and four longer (2.97 Å) Pu–Rh bond lengths. All Pu–In bond lengths are 3.38 Å. Rh is bonded in a 8-coordinate geometry to six equivalent Pu and two equivalent In atoms. Both Rh–In bond lengths are 2.92 Å. In is bonded to eight equivalent Pu and four equivalent Rh atoms to form a mixture of distorted face and corner-sharing InPu8Rh4 cuboctahedra.
DOI: 10.17188/1279881
title: Materials Data on Mn4Nb2O9 (SG:165) 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: 10.17188/1279882
title: Materials Data on NbZn16 by Materials Project

description: NbZn16 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nb is bonded in a 1-coordinate geometry to fifteen Zn atoms. There are a spread of Nb–Zn bond distances ranging from 2.77–2.98 Å. There are seven inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to one Nb and eleven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.62–3.14 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to one Nb and twelve Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.52–3.12 Å. In the third Zn site, Zn is bonded to twelve Zn atoms to form a mixture of distorted edge and face-sharing ZnZn12 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.66–2.86 Å. In the fourth Zn site, Zn is bonded in a 11-coordinate geometry to one Nb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.52–3.09 Å. In the fifth Zn site, Zn is bonded in a 12-coordinate geometry to one Nb and eleven Zn atoms. There are one shorter (2.57 Å) and one longer (2.60 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded to two equivalent Nb and ten Zn atoms to form ZnNb2Zn10 cuboctahedra that share corners with two equivalent ZnNb2Zn10 cuboctahedra and faces with six equivalent ZnZn12 cuboctahedra. In the seventh Zn site, Zn is bonded in a 9-coordinate geometry to one Nb and ten Zn atoms.
DOI: 10.17188/1279883
title: Materials Data on Pu2SnPd2 by Materials Project

description: Pu2Pd2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pu is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Sn atoms. There are two shorter (2.83 Å) and four longer (3.01 Å) Pu–Pd bond lengths. All Pu–Sn bond lengths are 3.39 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pu, one Pd, and two equivalent Sn atoms. The Pd–Pd bond length is 2.78 Å. Both Pd–Sn bond lengths are 2.97 Å. Sn is bonded to eight equivalent Pu and four equivalent Pd atoms to form a mixture of face and corner-sharing SnPu8Pd4 cuboctahedra.
DOI: 10.17188/1279888
title: Materials Data on Ti8Bi9 by Materials Project

description: Bi9Ti8 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (2.97 Å) and four longer (2.99 Å) Ti–Bi bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to six Bi atoms. There are a spread of Ti–Bi bond distances ranging from 2.83–3.10 Å. In the third Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (3.13 Å) and four longer (3.18 Å) Ti–Bi bond lengths. In the fourth Ti site, Ti is bonded in a 6-coordinate geometry to six Bi atoms. There are two shorter (2.88 Å) and four longer (2.96 Å) Ti–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five Ti atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to seven Ti atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ti atoms.
DOI: 10.17188/1279889
title: Materials Data on Mn2GeSe4 by Materials Project

description: Mn2GeSe4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six Se2- atoms to form MnSe6 octahedra that share corners with eight MnSe6 octahedra, corners with four equivalent GeSe4 tetrahedra, edges with two equivalent MnSe6 octahedra, and an edgeedge with one GeSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–53°. There are a spread of Mn–Se bond distances ranging from 2.63–2.75 Å. In the second Mn2+ site, Mn2+ is bonded to six Se2- atoms to form MnSe6 octahedra that share corners with four equivalent MnSe6 octahedra, corners with two equivalent GeSe4 tetrahedra, edges with four MnSe6 octahedra, and edges with two equivalent GeSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Mn–Se bond distances ranging from 2.60–2.70 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with six MnSe6 octahedra and edges with three MnSe6 octahedra. The corner-sharing octahedra tilt angles range from 60–66°. There are two shorter (2.45 Å) and two longer (2.46 Å) Ge–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to three Mn2+ and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to three Mn2+ and one Ge4+ atom. In the third Se2- site, Se2- is bonded to three Mn2+ and one Ge4+ atom to form distorted corner-sharing SeMn3Ge tetrahedra.
DOI: 10.17188/1279890
title: Materials Data on Pu2Ni2Sn by Materials Project

description: Pu2Ni2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pu is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.82 Å) and four longer (2.90 Å) Pu–Ni bond lengths. All Pu–Sn bond lengths are 3.27 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Pu, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.48 Å. Both Ni–Sn bond lengths are 2.82 Å. Sn is bonded to eight equivalent Pu and four equivalent Ni atoms to form a mixture of corner and face-sharing SnPu8Ni4 cuboctahedra.
DOI: 10.17188/1279891
title: Materials Data on Cs2AgBr3 by Materials Project

description: Cs2AgBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to seven Br1- atoms to form distorted CsBr7 pentagonal bipyramids that share corners with six CsBr7 pentagonal bipyramids, a cornercorner with one AgBr4 tetrahedra, edges with ten CsBr7 pentagonal bipyramids, and edges with four equivalent AgBr4 tetrahedra. There are a spread of Cs–Br bond distances ranging from 3.69–3.76 Å. In the second Cs1+ site, Cs1+ is bonded to seven Br1- atoms to form distorted CsBr7 pentagonal bipyramids that share corners with four equivalent CsBr7 pentagonal bipyramids, corners with three equivalent AgBr4 tetrahedra, edges with eight CsBr7 pentagonal bipyramids, edges with three equivalent AgBr4 tetrahedra, and faces with two equivalent CsBr7 pentagonal bipyramids. There are a spread of Cs–Br bond distances ranging from 3.71–3.79 Å. Ag1+ is bonded to four Br1- atoms to form AgBr4 tetrahedra that share corners with four CsBr7 pentagonal bipyramids, corners with two equivalent AgBr4 tetrahedra, and edges with seven CsBr7 pentagonal bipyramids. There are a spread of Ag–Br bond distances ranging from 2.71–2.80 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to five Cs1+ and one Ag1+ atom to form distorted BrCs5Ag octahedra that share corners with thirteen BrCs4Ag2 octahedra, edges with seven BrCs5Ag octahedra, and faces with two BrCs4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 26–62°. In the second Br1- site, Br1- is bonded to four Cs1+ and two equivalent Ag1+ atoms to form a mixture of distorted edge, corner, and face-sharing BrCs4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 15–62°. In the third Br1- site, Br1- is bonded to five Cs1+ and one Ag1+ atom to form a mixture of distorted edge, corner, and face-sharing BrCs5Ag octahedra. The corner-sharing octahedra tilt angles range from 15–56°.