cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1197173
title: Materials Data on Rb4PbO3 by Materials Project

description: Rb4PbO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.04 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share corners with three equivalent RbO5 square pyramids, corners with two equivalent RbO4 tetrahedra, and edges with two equivalent RbO5 square pyramids. There are a spread of Rb–O bond distances ranging from 2.82–2.99 Å. In the third Rb1+ site, Rb1+ is bonded to five O2- atoms to form distorted RbO5 square pyramids that share corners with three equivalent RbO4 tetrahedra, edges with two equivalent RbO5 square pyramids, and edges with two equivalent RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.90–3.09 Å. In the fourth Rb1+ site, Rb1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.79–2.86 Å. Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.21–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted corner and edge-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 18–72°. In the second O2- site, O2- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted corner and edge-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 13–72°. In the third O2- site, O2- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted corner and edge-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 13–71°.
DOI: 10.17188/1197174
title: Materials Data on YNi5Ge3 by Materials Project

description: YNi5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eleven Ni and six Ge atoms. There are a spread of Y–Ni bond distances ranging from 3.05–3.34 Å. There are four shorter (2.98 Å) and two longer (2.99 Å) Y–Ge bond lengths. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to one Y, three Ni, and five Ge atoms. There are one shorter (2.59 Å) and two longer (2.80 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.38–2.55 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to one Y, five Ni, and four Ge atoms. There are two shorter (2.56 Å) and two longer (2.58 Å) Ni–Ni bond lengths. There are one shorter (2.34 Å) and three longer (2.39 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Y, two equivalent Ni, and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.37–2.46 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Y, five Ni, and four Ge atoms. There are one shorter (2.62 Å) and two longer (2.74 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.40–2.44 Å. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Y, three equivalent Ni, and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.32–2.40 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Y and seven Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Y and seven Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Y and seven Ni atoms.
DOI: 10.17188/1197175
title: Materials Data on Tm5(Ge5Rh2)2 by Materials Project

description: Tm5Rh4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Rh and ten Ge atoms. All Tm–Rh bond lengths are 3.31 Å. There are a spread of Tm–Ge bond distances ranging from 3.23–3.36 Å. In the second Tm site, Tm is bonded to four equivalent Rh and eight Ge atoms to form face-sharing TmGe8Rh4 cuboctahedra. All Tm–Rh bond lengths are 3.10 Å. There are a spread of Tm–Ge bond distances ranging from 2.90–3.12 Å. In the third Tm site, Tm is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Tm–Rh bond lengths are 3.21 Å. There are eight shorter (2.95 Å) and four longer (3.35 Å) Tm–Ge bond lengths. Rh is bonded in a 5-coordinate geometry to five Tm and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.44–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Tm, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.88 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Tm, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.46 Å.
DOI: 10.17188/1197176
title: Materials Data on U2Nb3Ge4 by Materials Project

description: U2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.87–3.03 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six Ge atoms to form corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There are a spread of Nb–Ge bond distances ranging from 2.74–2.82 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.64–2.80 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Nb, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent U, six Nb, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Nb, and one Ge atom. The Ge–Ge bond length is 2.77 Å.
DOI: 10.7302/6ex8-fe28
title: Computed tomography voxel dataset for UMMZ:mammals:112694-Peromyscus AZTECUS EVIDES-WholeBody
DOI: 10.17188/1197177
title: Materials Data on Ho5(Ge5Rh2)2 by Materials Project

description: Ho5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Ho–Rh bond lengths are 3.22 Å. There are eight shorter (2.98 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Rh and ten Ge atoms. All Ho–Rh bond lengths are 3.33 Å. There are a spread of Ho–Ge bond distances ranging from 3.24–3.35 Å. In the third Ho site, Ho is bonded to four equivalent Rh and eight Ge atoms to form face-sharing HoGe8Rh4 cuboctahedra. All Ho–Rh bond lengths are 3.12 Å. There are a spread of Ho–Ge bond distances ranging from 2.93–3.14 Å. Rh is bonded in a 5-coordinate geometry to five Ho and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.45–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.47 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Ho, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Ho and two equivalent Rh atoms.
DOI: 10.17188/1197179
title: Materials Data on SnAs by Materials Project

description: SnAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sn3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing SnAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–As bond lengths are 2.90 Å. As3- is bonded to six equivalent Sn3+ atoms to form a mixture of corner and edge-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1197180
title: Materials Data on Yb2Sn5Pt3 by Materials Project

description: Yb2Pt3Sn5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to two equivalent Pt and six Sn atoms. Both Yb–Pt bond lengths are 3.27 Å. There are a spread of Yb–Sn bond distances ranging from 3.22–3.25 Å. In the second Yb site, Yb is bonded in a 1-coordinate geometry to five Pt and eight Sn atoms. There are a spread of Yb–Pt bond distances ranging from 2.92–3.37 Å. There are a spread of Yb–Sn bond distances ranging from 3.18–3.44 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.76–2.91 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Yb and five Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.68–2.83 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to three Yb and six Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.73–2.94 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Yb and four Pt atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Yb and four Pt atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Yb and four Pt atoms. In the fourth Sn site, Sn is bonded in a 3-coordinate geometry to four Yb, three Pt, and one Sn atom. The Sn–Sn bond length is 3.09 Å. In the fifth Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Yb, three equivalent Pt, and one Sn atom.
DOI: 10.17188/1197181
title: Materials Data on UNi5Ge3 by Materials Project

description: UNi5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eleven Ni and six Ge atoms. There are a spread of U–Ni bond distances ranging from 3.03–3.33 Å. There are a spread of U–Ge bond distances ranging from 2.96–3.04 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to one U, three Ni, and five Ge atoms. There are one shorter (2.53 Å) and two longer (2.84 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.35–2.56 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent U, three equivalent Ni, and four Ge atoms. There are two shorter (2.66 Å) and one longer (2.69 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.33–2.38 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent U, five Ni, and four Ge atoms. There are two shorter (2.39 Å) and two longer (2.45 Å) Ni–Ge bond lengths. In the fourth Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent U, two equivalent Ni, and four Ge atoms. Both Ni–Ni bond lengths are 2.58 Å. There are a spread of Ni–Ge bond distances ranging from 2.33–2.47 Å. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to one U, five Ni, and four Ge atoms. Both Ni–Ni bond lengths are 2.60 Å. There are a spread of Ni–Ge bond distances ranging from 2.34–2.42 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent U and seven Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent U and seven Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent U and seven Ni atoms.
DOI: 10.17188/1197182
title: Materials Data on In9(CuSe4)4 by Materials Project

description: In9(CuSe4)4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with nine InSe4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.50 Å) Cu–Se bond lengths. In the second Cu+1.25+ site, Cu+1.25+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with nine InSe4 tetrahedra. There are three shorter (2.44 Å) and one longer (2.51 Å) Cu–Se bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with four CuSe4 tetrahedra and corners with eight InSe4 tetrahedra. There are two shorter (2.66 Å) and two longer (2.71 Å) In–Se bond lengths. In the second In3+ site, In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with four CuSe4 tetrahedra and corners with six InSe4 tetrahedra. There are two shorter (2.62 Å) and two longer (2.74 Å) In–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a single-bond geometry to one Cu+1.25+ atom. In the second Se2- site, Se2- is bonded to one Cu+1.25+ and three In3+ atoms to form corner-sharing SeIn3Cu tetrahedra. In the third Se2- site, Se2- is bonded to one Cu+1.25+ and three equivalent In3+ atoms to form corner-sharing SeIn3Cu tetrahedra. In the fourth Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Cu+1.25+ and two equivalent In3+ atoms.
DOI: 10.17188/1197183
title: Materials Data on ThSe by Materials Project

description: ThSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded to six equivalent Se atoms to form a mixture of edge and corner-sharing ThSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–Se bond lengths are 2.97 Å. Se is bonded to six equivalent Th atoms to form a mixture of edge and corner-sharing SeTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1197185
title: Materials Data on Nd6Fe13Sn by Materials Project

description: Nd6Fe13Sn crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to four Fe and two equivalent Sn atoms. There are a spread of Nd–Fe bond distances ranging from 2.97–3.33 Å. Both Nd–Sn bond lengths are 3.39 Å. In the second Nd site, Nd is bonded in a 5-coordinate geometry to twelve Fe and one Sn atom. There are a spread of Nd–Fe bond distances ranging from 3.03–3.26 Å. The Nd–Sn bond length is 3.42 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Nd and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.74 Å. In the second Fe site, Fe is bonded to five Nd and seven Fe atoms to form a mixture of distorted corner and face-sharing FeNd5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.54–2.64 Å. In the third Fe site, Fe is bonded to twelve Fe atoms to form a mixture of corner and face-sharing FeFe12 cuboctahedra. All Fe–Fe bond lengths are 2.40 Å. In the fourth Fe site, Fe is bonded to two equivalent Nd and ten Fe atoms to form a mixture of corner and face-sharing FeNd2Fe10 cuboctahedra. There are two shorter (2.51 Å) and one longer (2.56 Å) Fe–Fe bond lengths. Sn is bonded in a distorted q6 geometry to ten Nd atoms.
DOI: 10.17188/1197186
title: Materials Data on Cs2In2Sb3 by Materials Project

description: Cs2In2Sb3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to six Sb+2.67- atoms. There are a spread of Cs–Sb bond distances ranging from 3.71–4.33 Å. In the second Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven Sb+2.67- atoms. There are a spread of Cs–Sb bond distances ranging from 3.91–4.45 Å. In the third Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six Sb+2.67- atoms. There are a spread of Cs–Sb bond distances ranging from 3.77–4.30 Å. In the fourth Cs1+ site, Cs1+ is bonded in a hexagonal planar geometry to six Sb+2.67- atoms. There are a spread of Cs–Sb bond distances ranging from 3.79–4.18 Å. There are four inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Sb+2.67- atoms to form a mixture of edge and corner-sharing InSb4 tetrahedra. There are a spread of In–Sb bond distances ranging from 2.93–2.99 Å. In the second In3+ site, In3+ is bonded to four Sb+2.67- atoms to form a mixture of edge and corner-sharing InSb4 tetrahedra. There are a spread of In–Sb bond distances ranging from 2.89–2.94 Å. In the third In3+ site, In3+ is bonded to four Sb+2.67- atoms to form a mixture of edge and corner-sharing InSb4 tetrahedra. There are a spread of In–Sb bond distances ranging from 2.91–2.93 Å. In the fourth In3+ site, In3+ is bonded to four Sb+2.67- atoms to form a mixture of edge and corner-sharing InSb4 tetrahedra. There are a spread of In–Sb bond distances ranging from 2.88–3.03 Å. There are six inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded to three Cs1+ and three In3+ atoms to form distorted edge-sharing SbCs3In3 pentagonal pyramids. In the second Sb+2.67- site, Sb+2.67- is bonded in a 7-coordinate geometry to four Cs1+, two In3+, and one Sb+2.67- atom. The Sb–Sb bond length is 2.89 Å. In the third Sb+2.67- site, Sb+2.67- is bonded in a 3-coordinate geometry to five Cs1+ and three In3+ atoms. In the fourth Sb+2.67- site, Sb+2.67- is bonded in a 7-coordinate geometry to four Cs1+, two In3+, and one Sb+2.67- atom. In the fifth Sb+2.67- site, Sb+2.67- is bonded in a 3-coordinate geometry to five Cs1+ and three In3+ atoms. In the sixth Sb+2.67- site, Sb+2.67- is bonded to four Cs1+ and three In3+ atoms to form distorted SbCs4In3 pentagonal bipyramids that share an edgeedge with one SbCs4In3 pentagonal bipyramid and edges with two equivalent SbCs3In3 pentagonal pyramids.
DOI: 10.17188/1197187
title: Materials Data on K2In12Se19 by Materials Project

description: K2In12Se19 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are three shorter (3.51 Å) and three longer (3.60 Å) K–Se bond lengths. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to six Se2- atoms. There are three shorter (3.36 Å) and three longer (3.77 Å) K–Se bond lengths. There are four inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Se2- atoms to form corner-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.75 Å. In the second In3+ site, In3+ is bonded to four Se2- atoms to form corner-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.58–2.74 Å. In the third In3+ site, In3+ is bonded to four Se2- atoms to form corner-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.56–2.70 Å. In the fourth In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.62–2.69 Å. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal planar geometry to one K1+ and two In3+ atoms. In the second Se2- site, Se2- is bonded to one K1+ and three In3+ atoms to form a mixture of distorted edge and corner-sharing SeKIn3 trigonal pyramids. In the third Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three In3+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In3+ atoms. In the fifth Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three In3+ atoms. In the sixth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two equivalent In3+ atoms. In the seventh Se2- site, Se2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent In3+ atoms.
DOI: 10.17188/1197188
title: Materials Data on Ce(SeO4)2 by Materials Project

description: Ce(SeO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.30–2.47 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.68 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.66 Å) and three longer (1.67 Å) Se–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ce4+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ce4+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ce4+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one Se6+ atom.
DOI: 10.17188/1197189
title: Materials Data on Ba4Ge20Au3 by Materials Project

description: Ba4Au3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.49 Å) and twelve longer (3.63 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to four equivalent Au and eight equivalent Ge atoms. All Ba–Au bond lengths are 3.89 Å. All Ba–Ge bond lengths are 3.69 Å. Au is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of corner and edge-sharing AuBa4Ge4 tetrahedra. All Au–Ge bond lengths are 2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. All Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a distorted single-bond geometry to three Ba, one Au, and two equivalent Ge atoms.
DOI: 10.17188/1197190
title: Materials Data on As2O3 by Materials Project

description: As2O3 is diamond structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight chebi:30621 molecules. As3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All As–O bond lengths are 1.83 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent As3+ atoms.