cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1208449
title: Materials Data on Gd2CuO4 by Materials Project

description: Gd2CuO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.66 Å) Gd–O bond lengths. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Gd3+ atoms to form OGd4 tetrahedra that share corners with twelve equivalent OGd4Cu2 octahedra, corners with four equivalent OGd4 tetrahedra, edges with two equivalent OGd4Cu2 octahedra, and edges with four equivalent OGd4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–69°. In the second O2- site, O2- is bonded to four equivalent Gd3+ and two equivalent Cu2+ atoms to form distorted OGd4Cu2 octahedra that share corners with two equivalent OGd4Cu2 octahedra, corners with twelve equivalent OGd4 tetrahedra, edges with two equivalent OGd4Cu2 octahedra, edges with two equivalent OGd4 tetrahedra, and faces with four equivalent OGd4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1208450
title: Materials Data on Sr(CuAs)2 by Materials Project

description: SrCu2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Sr–As bond lengths are 3.30 Å. Cu2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.49 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Cu2+, and one As3- atom. The As–As bond length is 2.76 Å.
DOI: 10.17188/1208451
title: Materials Data on CaMgSn by Materials Project

description: CaMgSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to six equivalent Mg and five equivalent Sn atoms. There are a spread of Ca–Mg bond distances ranging from 3.49–3.71 Å. There are a spread of Ca–Sn bond distances ranging from 3.28–3.40 Å. Mg is bonded to six equivalent Ca and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing MgCa6Sn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.93–3.03 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent Mg atoms.
DOI: 10.17188/1208452
title: Materials Data on CaAl4O7 by Materials Project

description: CaAl4O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.45 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.82 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Al3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two equivalent Al3+ atoms.
DOI: 10.17188/1208453
title: Materials Data on MnP4 by Materials Project

description: MnP4 is Sylvanite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.34 Å. There are four inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are a spread of P–P bond distances ranging from 2.19–2.27 Å. In the second P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.25 Å) and one longer (2.28 Å) P–P bond lengths. In the third P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms. The P–P bond length is 2.25 Å. In the fourth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms.
DOI: 10.17188/1208454
title: Materials Data on Cu(BO2)2 by Materials Project

description: CuB2O4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.02 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–2.00 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. All B–O bond lengths are 1.49 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two B3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Cu2+ and two equivalent B3+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Cu2+ and two equivalent B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cu2+ and two B3+ atoms.
DOI: 10.17188/1208455
title: Materials Data on ErP5O14 by Materials Project

description: ErP5O14 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.32–2.35 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.28–2.40 Å. There are five inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.66 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.59 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.66 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is one shorter (1.47 Å) and three longer (1.58 Å) P–O bond length. In the fifth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.64 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Er3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one P5+ atom. In the fourteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1208456
title: Materials Data on Ce2TeO2 by Materials Project

description: Ce2TeO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All Ce–Te bond lengths are 3.49 Å. All Ce–O bond lengths are 2.35 Å. Te2- is bonded in a distorted body-centered cubic geometry to eight equivalent Ce3+ atoms. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1208457
title: Materials Data on GdTaO4 by Materials Project

description: GdTaO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.60 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.89–2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Gd3+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1208458
title: Materials Data on Tl3SbSe3 by Materials Project

description: Tl3SbSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.24 Å) and three longer (3.66 Å) Tl–Se bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.21 Å) and three longer (3.80 Å) Tl–Se bond lengths. In the third Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.20 Å) and three longer (3.66 Å) Tl–Se bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Sb–Se bond lengths are 2.62 Å. Se2- is bonded in a 7-coordinate geometry to six Tl1+ and one Sb3+ atom.
DOI: 10.17188/1208459
title: Materials Data on CsNa2Si17 by Materials Project

description: CsNa2Si17 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twenty-eight Si atoms. There are a spread of Cs–Si bond distances ranging from 3.97–4.06 Å. Na is bonded in a 8-coordinate geometry to twenty Si atoms. There are a spread of Na–Si bond distances ranging from 3.21–3.39 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to one Cs, three equivalent Na, and four Si atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to two equivalent Cs, two equivalent Na, and four Si atoms. All Si–Si bond lengths are 2.40 Å.
DOI: 10.17188/1208460
title: Materials Data on ZrGeSe by Materials Project

description: ZrGeSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 9-coordinate geometry to four equivalent Ge and five equivalent Se atoms. All Zr–Ge bond lengths are 2.88 Å. There are four shorter (2.82 Å) and one longer (3.03 Å) Zr–Se bond lengths. Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.64 Å. Se is bonded in a 5-coordinate geometry to five equivalent Zr atoms.
DOI: 10.17188/1208461
title: Materials Data on CuSe by Materials Project

description: CuSe is Covellite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.32 Å. In the second Cu2+ site, Cu2+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with three equivalent SeCu3Se tetrahedra and corners with seven equivalent CuSe4 tetrahedra. There are three shorter (2.42 Å) and one longer (2.49 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Cu2+ and one Se2- atom to form distorted SeCu3Se tetrahedra that share corners with three equivalent CuSe4 tetrahedra, corners with six equivalent SeCu3Se tetrahedra, and corners with three equivalent SeCu5 trigonal bipyramids. The Se–Se bond length is 2.43 Å. In the second Se2- site, Se2- is bonded to five Cu2+ atoms to form SeCu5 trigonal bipyramids that share corners with six equivalent SeCu3Se tetrahedra and corners with six equivalent SeCu5 trigonal bipyramids.
DOI: 10.17188/1208462
title: Materials Data on Er(SiNi)2 by Materials Project

description: ErNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Er–Si bond lengths are 3.03 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.30 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Er3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.39 Å.
DOI: 10.17188/1208463
title: Materials Data on Ba(FeP)2 by Materials Project

description: BaFe2P2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Ba–P bond lengths are 3.36 Å. Fe2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing FeP4 tetrahedra. All Fe–P bond lengths are 2.21 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four equivalent Fe2+ atoms.
DOI: 10.17188/1208464
title: Materials Data on NdCuO2 by Materials Project

description: CuNdO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing NdO6 octahedra. All Nd–O bond lengths are 2.41 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. O2- is bonded to three equivalent Nd3+ and one Cu1+ atom to form a mixture of corner and edge-sharing ONd3Cu tetrahedra.
DOI: 10.17188/1208465
title: Materials Data on BaCeN2 by Materials Project

description: BaCeN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent N3- atoms to form distorted BaN6 pentagonal pyramids that share corners with six equivalent CeN6 octahedra, edges with six equivalent CeN6 octahedra, and edges with six equivalent BaN6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 13°. All Ba–N bond lengths are 2.90 Å. Ce4+ is bonded to six equivalent N3- atoms to form CeN6 octahedra that share corners with six equivalent BaN6 pentagonal pyramids, edges with six equivalent CeN6 octahedra, and edges with six equivalent BaN6 pentagonal pyramids. All Ce–N bond lengths are 2.46 Å. N3- is bonded to three equivalent Ba2+ and three equivalent Ce4+ atoms to form a mixture of distorted edge, corner, and face-sharing NBa3Ce3 octahedra. The corner-sharing octahedra tilt angles range from 0–43°.
DOI: 10.17188/1208466
title: Materials Data on NbPO5 by Materials Project

description: NbOPO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Nb–O bond distances ranging from 1.78–2.43 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 27°. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Nb5+ atoms.
DOI: 10.17188/1208467
title: Materials Data on Y(GeRh)2 by Materials Project

description: Y(RhGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Y–Rh bond lengths are 3.32 Å. All Y–Ge bond lengths are 3.19 Å. Rh is bonded to four equivalent Y and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing RhY4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
DOI: 10.17188/1208468
title: Materials Data on Ge4Ir by Materials Project

description: IrGe4 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. Ir is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.55–2.64 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to two equivalent Ir and three Ge atoms. There are two shorter (2.61 Å) and one longer (2.90 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ir and seven Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.77–2.87 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ir and three Ge atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ir and three Ge atoms.
DOI: 10.17188/1208469
title: Materials Data on HoAlO3 by Materials Project

description: HoAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.25–2.60 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There is four shorter (1.92 Å) and two longer (1.94 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ho3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Al3+ atoms to form distorted corner-sharing OHo2Al2 tetrahedra.
DOI: 10.17188/1208470
title: Materials Data on Hf2SnC by Materials Project

description: Hf2SnC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to three equivalent Sn and three equivalent C atoms. All Hf–Sn bond lengths are 3.08 Å. All Hf–C bond lengths are 2.29 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Hf atoms. C is bonded to six equivalent Hf atoms to form edge-sharing CHf6 octahedra.
DOI: 10.17188/1208471
title: Materials Data on UTeAs by Materials Project

description: UAsTe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U5+ is bonded in a 9-coordinate geometry to four equivalent As3- and five equivalent Te2- atoms. All U–As bond lengths are 2.91 Å. There are four shorter (3.17 Å) and one longer (3.38 Å) U–Te bond lengths. As3- is bonded in a distorted square co-planar geometry to four equivalent U5+ atoms. Te2- is bonded in a 5-coordinate geometry to five equivalent U5+ atoms.
DOI: 10.17188/1208472
title: Materials Data on Sm(SiPt)2 by Materials Project

description: SmPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded to eight equivalent Si4- atoms to form SmSi8 hexagonal bipyramids that share corners with sixteen equivalent PtSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, edges with eight equivalent PtSi4 tetrahedra, and faces with four equivalent SmSi8 hexagonal bipyramids. All Sm–Si bond lengths are 3.22 Å. Pt3+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent SmSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+, four equivalent Pt3+, and one Si4- atom. The Si–Si bond length is 2.37 Å.
DOI: 10.17188/1208473
title: Materials Data on ScSnPd2 by Materials Project

description: ScPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Sc–Pd bond lengths are 2.86 Å. All Sc–Sn bond lengths are 3.30 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.86 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Pd atoms.
DOI: 10.17188/1208474
title: Materials Data on GaAgTe2 by Materials Project

description: AgGaTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra and corners with eight equivalent GaTe4 tetrahedra. All Ag–Te bond lengths are 2.81 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight equivalent AgTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing TeGa2Ag2 tetrahedra.
DOI: 10.17188/1208475
title: Materials Data on Os by Materials Project

description: Os is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os is bonded to twelve equivalent Os atoms to form a mixture of edge, face, and corner-sharing OsOs12 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.76 Å) Os–Os bond lengths.
DOI: 10.17188/1208476
title: Materials Data on BaCeO3 by Materials Project

description: BaCeO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.73 Å) and six longer (3.16 Å) Ba–O bond lengths. Ce4+ is bonded to six equivalent O2- atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Ce–O bond lengths are 2.26 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Ce4+ atoms.