cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1279081
title: Materials Data on Na2LiTa by Materials Project

description: Na2LiTa crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Ta atoms to form distorted edge-sharing NaNa4Ta4 tetrahedra. All Na–Na bond lengths are 3.10 Å. All Na–Ta bond lengths are 3.10 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to four equivalent Na, four equivalent Li, and six equivalent Ta atoms. All Na–Li bond lengths are 3.10 Å. All Na–Ta bond lengths are 3.58 Å. Li is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Ta atoms. All Li–Ta bond lengths are 3.10 Å. Ta is bonded in a distorted body-centered cubic geometry to ten Na and four equivalent Li atoms.
DOI: 10.17188/1279082
title: Materials Data on SrLaZr2 by Materials Project

description: SrLaZr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. All Sr–Zr bond lengths are 3.40 Å. La is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. All La–Zr bond lengths are 3.40 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent La atoms.
DOI: 10.17188/1279083
title: Materials Data on MnTcPd by Materials Project

description: TcMnPd is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc is bonded to four equivalent Mn and six equivalent Pd atoms to form distorted TcMn4Pd6 tetrahedra that share corners with four equivalent PdMn4Tc6 tetrahedra, corners with six equivalent TcMn4Pd6 tetrahedra, edges with six equivalent PdMn4Tc6 tetrahedra, and faces with twelve equivalent TcMn4Pd6 tetrahedra. All Tc–Mn bond lengths are 2.51 Å. All Tc–Pd bond lengths are 2.89 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Pd atoms. All Mn–Pd bond lengths are 2.51 Å. Pd is bonded to six equivalent Tc and four equivalent Mn atoms to form distorted PdMn4Tc6 tetrahedra that share corners with four equivalent TcMn4Pd6 tetrahedra, corners with six equivalent PdMn4Tc6 tetrahedra, edges with six equivalent TcMn4Pd6 tetrahedra, and faces with twelve equivalent PdMn4Tc6 tetrahedra.
DOI: 10.17188/1279084
title: Materials Data on LaRe2W by Materials Project

description: LaWRe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. La is bonded in a distorted body-centered cubic geometry to four equivalent W and ten Re atoms. All La–W bond lengths are 2.86 Å. There are four shorter (2.86 Å) and six longer (3.30 Å) La–Re bond lengths. W is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Re atoms. All W–Re bond lengths are 2.86 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent La, four equivalent W, and four equivalent Re atoms to form a mixture of distorted face and corner-sharing ReLa6Re4W4 tetrahedra. All Re–Re bond lengths are 2.86 Å. In the second Re site, Re is bonded to four equivalent La and four equivalent Re atoms to form distorted ReLa4Re4 tetrahedra that share corners with twelve equivalent ReLa6Re4W4 tetrahedra, edges with twelve equivalent ReLa4Re4 tetrahedra, and faces with four equivalent ReLa6Re4W4 tetrahedra.
DOI: 10.17188/1279085
title: Materials Data on NaOsSe2 by Materials Project

description: NaOsSe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to ten Se2- atoms to form distorted NaSe10 tetrahedra that share corners with six equivalent NaSe10 tetrahedra, corners with twelve equivalent OsSe4 tetrahedra, corners with twelve equivalent SeNa4Se4 tetrahedra, faces with four equivalent OsSe4 tetrahedra, faces with four equivalent SeNa4Se4 tetrahedra, and faces with twelve equivalent NaSe10 tetrahedra. There are four shorter (2.87 Å) and six longer (3.31 Å) Na–Se bond lengths. Os3+ is bonded to four equivalent Se2- atoms to form OsSe4 tetrahedra that share corners with four equivalent SeNa4Se4 tetrahedra, corners with twelve equivalent NaSe10 tetrahedra, corners with twelve equivalent OsSe4 tetrahedra, edges with six equivalent SeNa4Se4 tetrahedra, and faces with four equivalent NaSe10 tetrahedra. All Os–Se bond lengths are 2.87 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to six equivalent Na1+, four equivalent Os3+, and four equivalent Se2- atoms. All Se–Se bond lengths are 2.87 Å. In the second Se2- site, Se2- is bonded to four equivalent Na1+ and four equivalent Se2- atoms to form distorted SeNa4Se4 tetrahedra that share corners with four equivalent OsSe4 tetrahedra, corners with twelve equivalent NaSe10 tetrahedra, edges with six equivalent OsSe4 tetrahedra, edges with twelve equivalent SeNa4Se4 tetrahedra, and faces with four equivalent NaSe10 tetrahedra.
DOI: 10.17188/1279086
title: Materials Data on KZr2Nb by Materials Project

description: KZr2Nb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to eight equivalent Zr and six equivalent Nb atoms. All K–Zr bond lengths are 3.13 Å. All K–Nb bond lengths are 3.61 Å. Zr is bonded in a body-centered cubic geometry to four equivalent K and four equivalent Nb atoms. All Zr–Nb bond lengths are 3.13 Å. Nb is bonded in a distorted body-centered cubic geometry to six equivalent K and eight equivalent Zr atoms.
DOI: 10.17188/1279087
title: Materials Data on SrNiIr2 by Materials Project

description: SrIr2Ni is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Ir and six equivalent Ni atoms. All Sr–Ir bond lengths are 2.84 Å. All Sr–Ni bond lengths are 3.28 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Ni atoms. All Ir–Ni bond lengths are 2.84 Å. Ni is bonded in a distorted body-centered cubic geometry to six equivalent Sr and eight equivalent Ir atoms.
DOI: 10.17188/1279088
title: Materials Data on ZnTcMo by Materials Project

description: MoTcZn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Zn atoms. All Mo–Tc bond lengths are 2.59 Å. All Mo–Zn bond lengths are 2.59 Å. Tc is bonded to four equivalent Mo and six equivalent Zn atoms to form distorted TcZn6Mo4 tetrahedra that share corners with four equivalent ZnTc6Mo4 tetrahedra, corners with six equivalent TcZn6Mo4 tetrahedra, edges with six equivalent ZnTc6Mo4 tetrahedra, and faces with twelve equivalent TcZn6Mo4 tetrahedra. All Tc–Zn bond lengths are 2.99 Å. Zn is bonded to four equivalent Mo and six equivalent Tc atoms to form distorted ZnTc6Mo4 tetrahedra that share corners with four equivalent TcZn6Mo4 tetrahedra, corners with six equivalent ZnTc6Mo4 tetrahedra, edges with six equivalent TcZn6Mo4 tetrahedra, and faces with twelve equivalent ZnTc6Mo4 tetrahedra.
DOI: 10.17188/1279089
title: Materials Data on MnC5BrO5 by Materials Project

description: Mn(CO)5Br crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twenty formaldehyde molecules and four MnBr clusters. In each MnBr cluster, Mn3+ is bonded in a 6-coordinate geometry to one Br1- atom. The Mn–Br bond length is 2.56 Å. Br1- is bonded in a single-bond geometry to one Mn3+ atom.
DOI: 10.17188/1279090
title: Materials Data on NbSnRu by Materials Project

description: NbRuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded in a 4-coordinate geometry to six equivalent Ru and four equivalent Sn atoms. All Nb–Ru bond lengths are 3.14 Å. All Nb–Sn bond lengths are 2.72 Å. Ru is bonded in a 10-coordinate geometry to six equivalent Nb and four equivalent Sn atoms. All Ru–Sn bond lengths are 2.72 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Ru atoms.
DOI: 10.17188/1279091
title: Materials Data on MnRePt by Materials Project

description: ReMnPt is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded to six equivalent Mn and four equivalent Pt atoms to form distorted ReMn6Pt4 tetrahedra that share corners with four equivalent MnRe6Pt4 tetrahedra, corners with six equivalent ReMn6Pt4 tetrahedra, edges with six equivalent MnRe6Pt4 tetrahedra, and faces with twelve equivalent ReMn6Pt4 tetrahedra. All Re–Mn bond lengths are 2.93 Å. All Re–Pt bond lengths are 2.54 Å. Mn is bonded to six equivalent Re and four equivalent Pt atoms to form distorted MnRe6Pt4 tetrahedra that share corners with four equivalent ReMn6Pt4 tetrahedra, corners with six equivalent MnRe6Pt4 tetrahedra, edges with six equivalent ReMn6Pt4 tetrahedra, and faces with twelve equivalent MnRe6Pt4 tetrahedra. All Mn–Pt bond lengths are 2.54 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Mn atoms.
DOI: 10.17188/1279092
title: Materials Data on ReOsRu by Materials Project

description: ReOsRu is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded in a 4-coordinate geometry to four equivalent Os and six equivalent Ru atoms. All Re–Os bond lengths are 2.56 Å. All Re–Ru bond lengths are 2.96 Å. Os is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Ru atoms. All Os–Ru bond lengths are 2.56 Å. Ru is bonded in a distorted q6 geometry to six equivalent Re and four equivalent Os atoms.
DOI: 10.17188/1279093
title: Materials Data on SrCrRh2 by Materials Project

description: SrCrRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sr–Rh bond lengths are 2.88 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms. All Cr–Rh bond lengths are 2.88 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Cr atoms.
DOI: 10.17188/1279094
title: Materials Data on NbOsPb by Materials Project

description: NbOsPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Pb atoms. All Nb–Os bond lengths are 2.78 Å. All Nb–Pb bond lengths are 2.78 Å. Os is bonded to four equivalent Nb atoms to form distorted OsNb4 tetrahedra that share corners with four equivalent PbNb4 tetrahedra, corners with twelve equivalent OsNb4 tetrahedra, and edges with six equivalent PbNb4 tetrahedra. Pb is bonded to four equivalent Nb atoms to form distorted PbNb4 tetrahedra that share corners with four equivalent OsNb4 tetrahedra, corners with twelve equivalent PbNb4 tetrahedra, and edges with six equivalent OsNb4 tetrahedra.
DOI: 10.17188/1279095
title: Materials Data on SrTa2Mn by Materials Project

description: SrTa2Mn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Mn atoms. All Sr–Ta bond lengths are 2.90 Å. All Sr–Mn bond lengths are 3.34 Å. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Mn atoms. All Ta–Mn bond lengths are 2.90 Å. Mn is bonded in a 8-coordinate geometry to six equivalent Sr and eight equivalent Ta atoms.
DOI: 10.17188/1279096
title: Materials Data on SrZr2Nb by Materials Project

description: SrZr2Nb crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to ten Zr and four equivalent Nb atoms. There are four shorter (3.18 Å) and six longer (3.67 Å) Sr–Zr bond lengths. All Sr–Nb bond lengths are 3.18 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Zr atoms. All Zr–Zr bond lengths are 3.18 Å. In the second Zr site, Zr is bonded in a 4-coordinate geometry to six equivalent Sr, four equivalent Zr, and four equivalent Nb atoms. All Zr–Nb bond lengths are 3.18 Å. Nb is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Zr atoms.
DOI: 10.17188/1279097
title: Materials Data on SiTe2Os by Materials Project

description: OsSiTe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os1- is bonded in a body-centered cubic geometry to eight equivalent Te+1.50- atoms. All Os–Te bond lengths are 2.95 Å. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Te+1.50- atoms. All Si–Te bond lengths are 2.95 Å. Te+1.50- is bonded in a body-centered cubic geometry to four equivalent Os1- and four equivalent Si4+ atoms.
DOI: 10.17188/1279098
title: Materials Data on TaOsPb by Materials Project

description: TaOsPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Pb atoms. All Ta–Os bond lengths are 2.77 Å. All Ta–Pb bond lengths are 2.77 Å. Os is bonded to four equivalent Ta atoms to form distorted OsTa4 tetrahedra that share corners with four equivalent PbTa4 tetrahedra, corners with twelve equivalent OsTa4 tetrahedra, and edges with six equivalent PbTa4 tetrahedra. Pb is bonded to four equivalent Ta atoms to form PbTa4 tetrahedra that share corners with four equivalent OsTa4 tetrahedra, corners with twelve equivalent PbTa4 tetrahedra, and edges with six equivalent OsTa4 tetrahedra.
DOI: 10.17188/1279099
title: Materials Data on TeRuPb by Materials Project

description: RuPbTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ru is bonded to four equivalent Pb and six equivalent Te atoms to form distorted RuTe6Pb4 tetrahedra that share corners with four equivalent TeRu6Pb4 tetrahedra, corners with six equivalent RuTe6Pb4 tetrahedra, edges with six equivalent TeRu6Pb4 tetrahedra, and faces with twelve equivalent RuTe6Pb4 tetrahedra. All Ru–Pb bond lengths are 2.97 Å. All Ru–Te bond lengths are 3.43 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Te atoms. All Pb–Te bond lengths are 2.97 Å. Te is bonded to six equivalent Ru and four equivalent Pb atoms to form distorted TeRu6Pb4 tetrahedra that share corners with four equivalent RuTe6Pb4 tetrahedra, corners with six equivalent TeRu6Pb4 tetrahedra, edges with six equivalent RuTe6Pb4 tetrahedra, and faces with twelve equivalent TeRu6Pb4 tetrahedra.
DOI: 10.17188/1279100
title: Materials Data on TcSnSe by Materials Project

description: TcSnSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc1- is bonded in a 10-coordinate geometry to four equivalent Sn3+ and six equivalent Se2- atoms. All Tc–Sn bond lengths are 2.83 Å. All Tc–Se bond lengths are 3.26 Å. Sn3+ is bonded in a body-centered cubic geometry to four equivalent Tc1- and four equivalent Se2- atoms. All Sn–Se bond lengths are 2.83 Å. Se2- is bonded to six equivalent Tc1- and four equivalent Sn3+ atoms to form a mixture of distorted corner and face-sharing SeTc6Sn4 tetrahedra.
DOI: 10.17188/1279101
title: Materials Data on SiSbOs2 by Materials Project

description: Os2SiSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Os+0.50- sites. In the first Os+0.50- site, Os+0.50- is bonded in a 4-coordinate geometry to four equivalent Os+0.50-, four equivalent Si4+, and six equivalent Sb3- atoms. All Os–Os bond lengths are 2.77 Å. All Os–Si bond lengths are 2.77 Å. All Os–Sb bond lengths are 3.20 Å. In the second Os+0.50- site, Os+0.50- is bonded in a 8-coordinate geometry to four equivalent Os+0.50-, six equivalent Si4+, and four equivalent Sb3- atoms. All Os–Si bond lengths are 3.20 Å. All Os–Sb bond lengths are 2.77 Å. Si4+ is bonded in a body-centered cubic geometry to ten Os+0.50- and four equivalent Sb3- atoms. All Si–Sb bond lengths are 2.77 Å. Sb3- is bonded in a distorted body-centered cubic geometry to ten Os+0.50- and four equivalent Si4+ atoms.
DOI: 10.17188/1279102
title: Materials Data on TlCuIr by Materials Project

description: IrCuTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Tl atoms. All Ir–Cu bond lengths are 2.68 Å. All Ir–Tl bond lengths are 2.68 Å. Cu is bonded to four equivalent Ir and six equivalent Tl atoms to form distorted CuTl6Ir4 tetrahedra that share corners with four equivalent TlCu6Ir4 tetrahedra, corners with six equivalent CuTl6Ir4 tetrahedra, edges with six equivalent TlCu6Ir4 tetrahedra, and faces with twelve equivalent CuTl6Ir4 tetrahedra. All Cu–Tl bond lengths are 3.10 Å. Tl is bonded to four equivalent Ir and six equivalent Cu atoms to form distorted TlCu6Ir4 tetrahedra that share corners with four equivalent CuTl6Ir4 tetrahedra, corners with six equivalent TlCu6Ir4 tetrahedra, edges with six equivalent CuTl6Ir4 tetrahedra, and faces with twelve equivalent TlCu6Ir4 tetrahedra.
DOI: 10.17188/1279103
title: Materials Data on TiVW by Materials Project

description: VWTi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent V and four equivalent W atoms. All Ti–V bond lengths are 2.60 Å. All Ti–W bond lengths are 2.60 Å. V is bonded in a distorted q6 geometry to four equivalent Ti and six equivalent W atoms. All V–W bond lengths are 3.01 Å. W is bonded to four equivalent Ti and six equivalent V atoms to form a mixture of distorted face and corner-sharing WTi4V6 tetrahedra.
DOI: 10.17188/1279104
title: Materials Data on TiTl2W by Materials Project

description: TiWTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to six equivalent W and eight equivalent Tl atoms. All Ti–W bond lengths are 3.40 Å. All Ti–Tl bond lengths are 2.94 Å. W is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Tl atoms. All W–Tl bond lengths are 2.94 Å. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent W atoms.
DOI: 10.17188/1279105
title: Materials Data on ReSn2Se by Materials Project

description: ReSn2Se crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded in a distorted body-centered cubic geometry to four equivalent Sn and four equivalent Se atoms. All Re–Sn bond lengths are 2.97 Å. All Re–Se bond lengths are 2.97 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sn and four equivalent Se atoms to form distorted edge-sharing SnSn4Se4 tetrahedra. All Sn–Sn bond lengths are 2.97 Å. All Sn–Se bond lengths are 2.97 Å. In the second Sn site, Sn is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Sn atoms. Se is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Sn atoms.
DOI: 10.17188/1279106
title: Materials Data on SrMn2Si by Materials Project

description: SrMn2Si crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Si atoms. There are four shorter (2.97 Å) and six longer (3.43 Å) Sr–Mn bond lengths. All Sr–Si bond lengths are 2.97 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Sr and four equivalent Mn atoms to form distorted edge-sharing MnSr4Mn4 tetrahedra. All Mn–Mn bond lengths are 2.97 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to six equivalent Sr, four equivalent Mn, and four equivalent Si atoms. All Mn–Si bond lengths are 2.97 Å. Si is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Mn atoms.
DOI: 10.17188/1279107
title: Materials Data on Re2PtRh by Materials Project

description: Re2RhPt is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Pt atoms. All Re–Rh bond lengths are 2.71 Å. All Re–Pt bond lengths are 2.71 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Re atoms. Pt is bonded in a body-centered cubic geometry to eight equivalent Re atoms.
DOI: 10.17188/1279108
title: Materials Data on Cs7NbIn3As5 by Materials Project

description: Cs7NbIn3As5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are seven inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three As3- atoms. There are a spread of Cs–As bond distances ranging from 3.61–4.23 Å. In the second Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to four As3- atoms. There are a spread of Cs–As bond distances ranging from 3.68–4.12 Å. In the third Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three As3- atoms. There are a spread of Cs–As bond distances ranging from 3.73–3.87 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Cs–As bond distances ranging from 3.56–4.05 Å. In the fifth Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five As3- atoms. There are a spread of Cs–As bond distances ranging from 3.60–4.00 Å. In the sixth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are a spread of Cs–As bond distances ranging from 3.63–4.12 Å. In the seventh Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are a spread of Cs–As bond distances ranging from 3.81–3.97 Å. Nb5+ is bonded in a tetrahedral geometry to four As3- atoms. There are a spread of Nb–As bond distances ranging from 2.43–2.56 Å. There are three inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a distorted T-shaped geometry to three As3- atoms. There are a spread of In–As bond distances ranging from 2.83–2.95 Å. In the second In1+ site, In1+ is bonded in a distorted T-shaped geometry to three As3- atoms. There are a spread of In–As bond distances ranging from 2.87–2.91 Å. In the third In1+ site, In1+ is bonded in a distorted T-shaped geometry to three As3- atoms. There are a spread of In–As bond distances ranging from 2.83–2.97 Å. There are five inequivalent As3- sites. In the first As3- site, As3- is bonded in a 1-coordinate geometry to six Cs1+, one Nb5+, and two In1+ atoms. In the second As3- site, As3- is bonded in a 1-coordinate geometry to five Cs1+, one Nb5+, and two In1+ atoms. In the third As3- site, As3- is bonded in a 1-coordinate geometry to four Cs1+, one Nb5+, and two In1+ atoms. In the fourth As3- site, As3- is bonded in a 9-coordinate geometry to six Cs1+ and three In1+ atoms. In the fifth As3- site, As3- is bonded in a 1-coordinate geometry to seven Cs1+ and one Nb5+ atom.