cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1284060
title: Materials Data on W9C4 by Materials Project

description: W9C4 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are three inequivalent W sites. In the first W site, W is bonded in a 3-coordinate geometry to three C atoms. There are a spread of W–C bond distances ranging from 2.10–2.12 Å. In the second W site, W is bonded in a distorted bent 120 degrees geometry to two C atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) W–C bond lengths. In the third W site, W is bonded in a 3-coordinate geometry to three C atoms. There are a spread of W–C bond distances ranging from 2.11–2.13 Å. There are four inequivalent C sites. In the first C site, C is bonded to six W atoms to form a mixture of edge and corner-sharing CW6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. In the second C site, C is bonded to six W atoms to form a mixture of edge and corner-sharing CW6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. In the third C site, C is bonded to six equivalent W atoms to form a mixture of edge and corner-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth C site, C is bonded to six equivalent W atoms to form a mixture of edge and corner-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 49°.
DOI: 10.17188/1284062
title: Materials Data on NaCaScZn(SiO3)4 by Materials Project

description: NaCaScZn(SiO3)4 is Esseneite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.83 Å. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.81 Å. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent ZnO6 octahedra. There are a spread of Sc–O bond distances ranging from 2.04–2.22 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent ScO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.07–2.19 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one ScO6 octahedra, corners with two equivalent ZnO6 octahedra, and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–58°. There are a spread of Si–O bond distances ranging from 1.61–1.69 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one ZnO6 octahedra, corners with two equivalent ScO6 octahedra, and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–58°. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ca2+, and two Si4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Ca2+, one Zn2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Sc3+, one Zn2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ca2+, and two Si4+ atoms. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one Sc3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, one Sc3+, one Zn2+, and one Si4+ atom.
DOI: 10.17188/1284064
title: Materials Data on Ba2CeC3O9F by Materials Project

description: Ba2CeC3O9F crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–3.04 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to seven O2- and three equivalent F1- atoms. There are a spread of Ba–O bond distances ranging from 2.79–2.92 Å. There are one shorter (2.76 Å) and two longer (2.91 Å) Ba–F bond lengths. Ce3+ is bonded in a 10-coordinate geometry to nine O2- and one F1- atom. There are a spread of Ce–O bond distances ranging from 2.50–2.75 Å. The Ce–F bond length is 2.42 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.31 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.31 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Ce3+, and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two Ba2+, one Ce3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Ce3+, and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, two equivalent Ce3+, and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Ce3+, and one C4+ atom. F1- is bonded to three equivalent Ba2+ and one Ce3+ atom to form a mixture of distorted edge and corner-sharing FBa3Ce tetrahedra.
DOI: 10.17188/1284066
title: Materials Data on Tb2Se3 by Materials Project

description: Tb2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.87–3.25 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.90–3.13 Å. In the third Tb3+ site, Tb3+ is bonded to eight Se2- atoms to form distorted edge-sharing TbSe8 hexagonal bipyramids. There are a spread of Tb–Se bond distances ranging from 2.91–3.20 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Tb3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeTb5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. In the third Se2- site, Se2- is bonded to five Tb3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeTb5 square pyramids.
DOI: 10.17188/1284069
title: Materials Data on Ba20As13 by Materials Project

description: Ba20As13 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are ten inequivalent Ba sites. In the first Ba site, Ba is bonded in a 6-coordinate geometry to six As atoms. There are a spread of Ba–As bond distances ranging from 3.27–3.94 Å. In the second Ba site, Ba is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Ba–As bond distances ranging from 3.31–3.70 Å. In the third Ba site, Ba is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Ba–As bond distances ranging from 3.22–3.68 Å. In the fourth Ba site, Ba is bonded to five As atoms to form a mixture of distorted edge and corner-sharing BaAs5 trigonal bipyramids. There are a spread of Ba–As bond distances ranging from 3.31–3.66 Å. In the fifth Ba site, Ba is bonded to five As atoms to form a mixture of distorted edge and corner-sharing BaAs5 square pyramids. There are a spread of Ba–As bond distances ranging from 3.22–3.71 Å. In the sixth Ba site, Ba is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Ba–As bond distances ranging from 3.30–3.66 Å. In the seventh Ba site, Ba is bonded to five As atoms to form a mixture of distorted edge and corner-sharing BaAs5 trigonal bipyramids. There are a spread of Ba–As bond distances ranging from 3.26–3.74 Å. In the eighth Ba site, Ba is bonded in a 6-coordinate geometry to six As atoms. There are a spread of Ba–As bond distances ranging from 3.21–3.86 Å. In the ninth Ba site, Ba is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Ba–As bond distances ranging from 3.30–3.67 Å. In the tenth Ba site, Ba is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Ba–As bond distances ranging from 3.19–3.85 Å. There are seven inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight Ba atoms. In the second As site, As is bonded in a 8-coordinate geometry to eight Ba atoms. In the third As site, As is bonded in a 8-coordinate geometry to eight Ba atoms. In the fourth As site, As is bonded in a 8-coordinate geometry to eight Ba atoms. In the fifth As site, As is bonded in a 8-coordinate geometry to eight Ba atoms. In the sixth As site, As is bonded in a 8-coordinate geometry to eight Ba atoms. In the seventh As site, As is bonded in a 8-coordinate geometry to eight Ba atoms.
DOI: 10.17188/1284070
title: Materials Data on Te8I3 by Materials Project

description: (Te)8(I)3 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of sixteen telloy molecules and three I sheets oriented in the (0, 0, 1) direction. In each I sheet, I1- is bonded in a square co-planar geometry to four equivalent I1- atoms. All I–I bond lengths are 3.25 Å.
DOI: 10.17188/1284071
title: Materials Data on TiS2 by Materials Project

description: TiS2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ti–S bond distances ranging from 1.97–2.71 Å. In the second Ti4+ site, Ti4+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ti–S bond lengths are 1.93 Å. In the third Ti4+ site, Ti4+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.44 Å) and two longer (2.65 Å) Ti–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one Ti4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two Ti4+ atoms. In the third S2- site, S2- is bonded in a distorted bent 150 degrees geometry to two Ti4+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three Ti4+ atoms.
DOI: 10.17188/1284072
title: Materials Data on In2Br3 by Materials Project

description: InIn7Br12 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional and consists of four indium molecules and one In7Br12 framework. In the In7Br12 framework, there are seven inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Br1- atoms. There are two shorter (2.60 Å) and one longer (2.67 Å) In–Br bond lengths. In the second In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 2.61–2.66 Å. In the third In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 2.60–2.64 Å. In the fourth In+1.50+ site, In+1.50+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 3.17–3.39 Å. In the fifth In+1.50+ site, In+1.50+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of In–Br bond distances ranging from 3.35–3.54 Å. In the sixth In+1.50+ site, In+1.50+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are one shorter (3.26 Å) and two longer (3.37 Å) In–Br bond lengths. In the seventh In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Br1- atoms. There are two shorter (2.64 Å) and one longer (2.66 Å) In–Br bond lengths. There are twelve inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to two In+1.50+ atoms. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to two In+1.50+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one In+1.50+ atom. In the fourth Br1- site, Br1- is bonded in a distorted L-shaped geometry to two In+1.50+ atoms. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one In+1.50+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to two In+1.50+ atoms. In the seventh Br1- site, Br1- is bonded in a distorted T-shaped geometry to three In+1.50+ atoms. In the eighth Br1- site, Br1- is bonded in a distorted single-bond geometry to two In+1.50+ atoms. In the ninth Br1- site, Br1- is bonded in a distorted single-bond geometry to two In+1.50+ atoms. In the tenth Br1- site, Br1- is bonded in a single-bond geometry to one In+1.50+ atom. In the eleventh Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to two In+1.50+ atoms. In the twelfth Br1- site, Br1- is bonded in a 3-coordinate geometry to three In+1.50+ atoms.
DOI: 10.17188/1284073
title: Materials Data on TePb by Materials Project

description: PbTe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent Te2- atoms to form a mixture of distorted face, edge, and corner-sharing PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 33–61°. There are a spread of Pb–Te bond distances ranging from 3.08–3.83 Å. Te2- is bonded in a 5-coordinate geometry to six equivalent Pb2+ atoms.
DOI: 10.17188/1284074
title: Materials Data on Sr4N3 by Materials Project

description: Sr4N3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a rectangular see-saw-like geometry to four N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.53–2.80 Å. In the second Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form distorted SrN4 trigonal pyramids that share corners with two equivalent SrN5 square pyramids, corners with six SrN4 trigonal pyramids, edges with two equivalent SrN5 square pyramids, and an edgeedge with one SrN4 trigonal pyramid. There are a spread of Sr–N bond distances ranging from 2.38–2.71 Å. In the third Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form SrN4 trigonal pyramids that share corners with two equivalent SrN5 square pyramids, corners with six SrN4 trigonal pyramids, edges with two equivalent SrN5 square pyramids, and an edgeedge with one SrN4 trigonal pyramid. There are a spread of Sr–N bond distances ranging from 2.56–2.85 Å. In the fourth Sr2+ site, Sr2+ is bonded to five N+2.67- atoms to form distorted SrN5 square pyramids that share corners with four SrN4 trigonal pyramids, edges with two equivalent SrN5 square pyramids, and edges with four SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.53–2.85 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form edge-sharing NSr6 octahedra. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to five Sr2+ atoms. In the third N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form distorted edge-sharing NSr6 octahedra.
DOI: 10.17188/1284077
title: Materials Data on Ho2Se3 by Materials Project

description: Ho2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ho–Se bond distances ranging from 2.84–3.27 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ho–Se bond distances ranging from 2.87–3.14 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ho–Se bond distances ranging from 2.88–3.22 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six Ho3+ atoms. In the second Se2- site, Se2- is bonded to five Ho3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeHo5 square pyramids. In the third Se2- site, Se2- is bonded to five Ho3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeHo5 square pyramids.
DOI: 10.17188/1284078
title: Materials Data on BBr by Materials Project

description: BBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of eighteen bromoborane molecules. B is bonded in a distorted single-bond geometry to one Br atom. The B–Br bond length is 1.93 Å. Br is bonded in a single-bond geometry to one B atom. The Br–B bond length is 1.93 Å.
DOI: 10.17188/1284082
title: Materials Data on IF7 by Materials Project

description: IF7 is alpha La-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four IF7 clusters. I is bonded in a pentagonal bipyramidal geometry to seven F atoms. There are a spread of I–F bond distances ranging from 1.85–1.90 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom. In the third F site, F is bonded in a single-bond geometry to one I atom. In the fourth F site, F is bonded in a single-bond geometry to one I atom. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the sixth F site, F is bonded in a single-bond geometry to one I atom. In the seventh F site, F is bonded in a single-bond geometry to one I atom.
DOI: 10.17188/1284083
title: Materials Data on Nb16N9 by Materials Project

description: Nb16N9 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are eight inequivalent Nb sites. In the first Nb site, Nb is bonded in a linear geometry to two N atoms. Both Nb–N bond lengths are 2.22 Å. In the second Nb site, Nb is bonded to five N atoms to form corner-sharing NbN5 square pyramids. There are a spread of Nb–N bond distances ranging from 2.16–2.18 Å. In the third Nb site, Nb is bonded in a linear geometry to two N atoms. Both Nb–N bond lengths are 2.21 Å. In the fourth Nb site, Nb is bonded in a square co-planar geometry to four N atoms. There are two shorter (2.16 Å) and two longer (2.19 Å) Nb–N bond lengths. In the fifth Nb site, Nb is bonded in a T-shaped geometry to three N atoms. There are one shorter (2.21 Å) and two longer (2.23 Å) Nb–N bond lengths. In the sixth Nb site, Nb is bonded in a rectangular see-saw-like geometry to four N atoms. There are a spread of Nb–N bond distances ranging from 2.16–2.19 Å. In the seventh Nb site, Nb is bonded in a square co-planar geometry to four N atoms. All Nb–N bond lengths are 2.18 Å. In the eighth Nb site, Nb is bonded in a T-shaped geometry to three N atoms. There are one shorter (2.21 Å) and two longer (2.23 Å) Nb–N bond lengths. There are five inequivalent N sites. In the first N site, N is bonded to six Nb atoms to form a mixture of edge and corner-sharing NNb6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the second N site, N is bonded to six Nb atoms to form a mixture of edge and corner-sharing NNb6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the third N site, N is bonded to six Nb atoms to form a mixture of edge and corner-sharing NNb6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the fourth N site, N is bonded to six Nb atoms to form a mixture of edge and corner-sharing NNb6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the fifth N site, N is bonded to six Nb atoms to form edge-sharing NNb6 octahedra.
DOI: 10.17188/1284084
title: Materials Data on CrTe2 by Materials Project

description: CrTe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two CrTe2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded to six Te2- atoms to form edge-sharing CrTe6 octahedra. All Cr–Te bond lengths are 2.71 Å. In the second Cr4+ site, Cr4+ is bonded to six Te2- atoms to form edge-sharing CrTe6 octahedra. All Cr–Te bond lengths are 2.71 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Cr4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Cr4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ atoms.
DOI: 10.17188/1284086
title: Materials Data on US2 by Materials Project

description: US2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of U–S bond distances ranging from 2.75–3.04 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are two shorter (2.77 Å) and six longer (2.78 Å) U–S bond lengths. In the third U4+ site, U4+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of U–S bond distances ranging from 2.74–3.05 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four U4+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to four U4+ atoms.
DOI: 10.17188/1284087
title: Materials Data on YbBr3 by Materials Project

description: YbBr3 is Aluminum trichloride-like structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three YbBr3 sheets oriented in the (0, 0, 1) direction. Yb3+ is bonded to six equivalent Br1- atoms to form edge-sharing YbBr6 octahedra. There are three shorter (2.88 Å) and three longer (2.89 Å) Yb–Br bond lengths. Br1- is bonded in a water-like geometry to two equivalent Yb3+ atoms.