cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195385
title: Materials Data on Na2Te2O7 by Materials Project

description: Na2Te2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to eight O2- atoms to form distorted NaO8 hexagonal bipyramids that share corners with two equivalent NaO8 hexagonal bipyramids, corners with two equivalent TeO6 octahedra, edges with four equivalent NaO8 hexagonal bipyramids, and edges with six TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Na–O bond distances ranging from 2.30–2.83 Å. In the second Na1+ site, Na1+ is bonded to eight O2- atoms to form distorted NaO8 hexagonal bipyramids that share edges with six NaO8 hexagonal bipyramids and edges with six TeO6 octahedra. There are four shorter (2.53 Å) and four longer (2.76 Å) Na–O bond lengths. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent NaO8 hexagonal bipyramids, corners with four equivalent TeO6 octahedra, and edges with six NaO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There is two shorter (1.85 Å) and four longer (2.04 Å) Te–O bond length. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six TeO6 octahedra and edges with six NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–44°. There is four shorter (1.94 Å) and two longer (1.97 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two Te6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Te6+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Te6+ atom.
DOI: 10.17188/1195386
title: Materials Data on TiCuSi by Materials Project

description: CuSiTi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti3+ is bonded to five equivalent Si4- atoms to form distorted TiSi5 trigonal bipyramids that share corners with eight equivalent CuSi4 tetrahedra, corners with eight equivalent TiSi5 trigonal bipyramids, edges with six equivalent CuSi4 tetrahedra, and edges with six equivalent TiSi5 trigonal bipyramids. There are a spread of Ti–Si bond distances ranging from 2.61–2.69 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent CuSi4 tetrahedra, corners with eight equivalent TiSi5 trigonal bipyramids, edges with two equivalent CuSi4 tetrahedra, and edges with six equivalent TiSi5 trigonal bipyramids. There are a spread of Cu–Si bond distances ranging from 2.35–2.43 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti3+ and four equivalent Cu1+ atoms.
DOI: 10.17188/1195387
title: Materials Data on K3InP2 by Materials Project

description: K3InP2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are a spread of K–P bond distances ranging from 3.27–3.67 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All K–P bond lengths are 3.27 Å. In3+ is bonded to four equivalent P3- atoms to form edge-sharing InP4 tetrahedra. All In–P bond lengths are 2.67 Å. P3- is bonded in a 8-coordinate geometry to six K1+ and two equivalent In3+ atoms.
DOI: 10.17188/1195388
title: Materials Data on AsPd3Pb2 by Materials Project

description: Pd3Pb2As crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 5-coordinate geometry to four Pd, four equivalent Pb, and two equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.92–3.16 Å. There are a spread of Pd–Pb bond distances ranging from 2.81–3.36 Å. There are one shorter (2.54 Å) and one longer (2.58 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Pd, four equivalent Pb, and two equivalent As atoms. There are two shorter (2.86 Å) and two longer (2.93 Å) Pd–Pb bond lengths. There are one shorter (2.50 Å) and one longer (2.64 Å) Pd–As bond lengths. Pb is bonded in a 5-coordinate geometry to six Pd atoms. As is bonded in a 6-coordinate geometry to six Pd atoms.
DOI: 10.17188/1195389
title: Materials Data on GdIn3 by Materials Project

description: GdIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent In atoms to form GdIn12 cuboctahedra that share corners with twelve equivalent GdIn12 cuboctahedra, edges with twenty-four equivalent InGd4In8 cuboctahedra, faces with six equivalent GdIn12 cuboctahedra, and faces with twelve equivalent InGd4In8 cuboctahedra. All Gd–In bond lengths are 3.30 Å. In is bonded to four equivalent Gd and eight equivalent In atoms to form distorted InGd4In8 cuboctahedra that share corners with twelve equivalent InGd4In8 cuboctahedra, edges with eight equivalent GdIn12 cuboctahedra, edges with sixteen equivalent InGd4In8 cuboctahedra, faces with four equivalent GdIn12 cuboctahedra, and faces with fourteen equivalent InGd4In8 cuboctahedra. All In–In bond lengths are 3.30 Å.
DOI: 10.17188/1195390
title: Materials Data on PrTl3 by Materials Project

description: PrTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Tl atoms to form PrTl12 cuboctahedra that share corners with twelve equivalent PrTl12 cuboctahedra, edges with twenty-four equivalent TlPr4Tl8 cuboctahedra, faces with six equivalent PrTl12 cuboctahedra, and faces with twelve equivalent TlPr4Tl8 cuboctahedra. All Pr–Tl bond lengths are 3.44 Å. Tl is bonded to four equivalent Pr and eight equivalent Tl atoms to form distorted TlPr4Tl8 cuboctahedra that share corners with twelve equivalent TlPr4Tl8 cuboctahedra, edges with eight equivalent PrTl12 cuboctahedra, edges with sixteen equivalent TlPr4Tl8 cuboctahedra, faces with four equivalent PrTl12 cuboctahedra, and faces with fourteen equivalent TlPr4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.44 Å.
DOI: 10.17188/1195391
title: Materials Data on U(SiIr)2 by Materials Project

description: UIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All U–Ir bond lengths are 3.22 Å. All U–Si bond lengths are 3.07 Å. Ir is bonded to four equivalent U and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing IrU4Si4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.30 Å.
DOI: 10.17188/1195392
title: Materials Data on Mn(GaSe2)2 by Materials Project

description: MnGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Mn–Se bond lengths are 2.54 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two Ga3+ atoms.
DOI: 10.17188/1195393
title: Materials Data on Pu3Pb by Materials Project

description: Pu3Pb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded in a distorted square co-planar geometry to four equivalent Pb atoms. All Pu–Pb bond lengths are 3.39 Å. Pb is bonded to twelve equivalent Pu atoms to form a mixture of face and corner-sharing PbPu12 cuboctahedra.
DOI: 10.17188/1195394
title: Materials Data on CaIn by Materials Project

description: CaIn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ca–In bond lengths are 3.35 Å. In is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1195395
title: Materials Data on Tb(FeGe)2 by Materials Project

description: TbFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All Tb–Fe bond lengths are 3.33 Å. All Tb–Ge bond lengths are 3.07 Å. Fe is bonded to four equivalent Tb and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing FeTb4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
DOI: 10.17188/1195396
title: Materials Data on LiIn2Pt by Materials Project

description: LiPtIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Li–In bond lengths are 2.87 Å. Pt is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Pt–In bond lengths are 2.87 Å. In is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms.
DOI: 10.17188/1195397
title: Materials Data on TiGePd by Materials Project

description: TiPdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent Ge atoms. There are a spread of Ti–Pd bond distances ranging from 2.96–3.12 Å. There are a spread of Ti–Ge bond distances ranging from 2.67–2.82 Å. Pd is bonded in a 12-coordinate geometry to six equivalent Ti, two equivalent Pd, and four equivalent Ge atoms. Both Pd–Pd bond lengths are 2.84 Å. There are a spread of Pd–Ge bond distances ranging from 2.48–2.62 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Pd atoms.
DOI: 10.17188/1195398
title: Materials Data on MnGaPt by Materials Project

description: PtMnGa is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded in a 10-coordinate geometry to six equivalent Pt and four equivalent Ga atoms. All Mn–Pt bond lengths are 2.92 Å. All Mn–Ga bond lengths are 2.53 Å. Pt is bonded in a 4-coordinate geometry to six equivalent Mn and four equivalent Ga atoms. All Pt–Ga bond lengths are 2.53 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Pt atoms.
DOI: 10.17188/1195399
title: Materials Data on HfCo by Materials Project

description: HfCo is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Hf–Co bond lengths are 2.73 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1195400
title: Materials Data on UWC2 by Materials Project

description: UWC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of U–C bond distances ranging from 2.32–2.68 Å. W2+ is bonded in a 3-coordinate geometry to five C4- atoms. There are a spread of W–C bond distances ranging from 2.08–2.39 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent U6+, two equivalent W2+, and one C4- atom to form a mixture of distorted edge and corner-sharing CU3W2C octahedra. The corner-sharing octahedra tilt angles range from 16–22°. The C–C bond length is 1.51 Å. In the second C4- site, C4- is bonded in a 5-coordinate geometry to three equivalent U6+, three equivalent W2+, and one C4- atom.
DOI: 10.17188/1195401
title: Materials Data on LaAgSb2 by Materials Project

description: LaAgSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.29 Å) and four longer (3.44 Å) La–Sb bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Ag1+ and four equivalent Sb2- atoms. All Ag–Ag bond lengths are 3.14 Å. All Ag–Sb bond lengths are 2.91 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Ag1+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.14 Å.
DOI: 10.17188/1195402
title: Materials Data on GdPt3 by Materials Project

description: GdPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Pt atoms to form a mixture of face and corner-sharing GdPt12 cuboctahedra. All Gd–Pt bond lengths are 2.93 Å. Pt is bonded in a distorted square co-planar geometry to four equivalent Gd atoms.
DOI: 10.17188/1195403
title: Materials Data on Ca3PbO by Materials Project

description: Ca3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Ca–Pb bond lengths are 3.45 Å. Both Ca–O bond lengths are 2.44 Å. Pb is bonded to twelve equivalent Ca atoms to form PbCa12 cuboctahedra that share corners with twelve equivalent PbCa12 cuboctahedra, faces with six equivalent PbCa12 cuboctahedra, and faces with eight equivalent OCa6 octahedra. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent PbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195404
title: Materials Data on CeGeAu by Materials Project

description: CeAuGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded to four equivalent Au and six equivalent Ge atoms to form a mixture of distorted face and corner-sharing CeGe6Au4 tetrahedra. All Ce–Au bond lengths are 2.91 Å. All Ce–Ge bond lengths are 3.35 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Ge atoms. All Au–Ge bond lengths are 2.91 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Au atoms.
DOI: 10.17188/1195405
title: Materials Data on U2F9 by Materials Project

description: U2F9 crystallizes in the cubic I-43m space group. The structure is three-dimensional. U+4.50+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.16–2.48 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent U+4.50+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent U+4.50+ atoms.
DOI: 10.17188/1195407
title: Materials Data on RbEuO2 by Materials Project

description: RbEuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent O2- atoms to form distorted RbO6 octahedra that share corners with six equivalent EuO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Rb–O bond lengths are 2.95 Å. Eu3+ is bonded to six equivalent O2- atoms to form EuO6 octahedra that share corners with six equivalent RbO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Eu–O bond lengths are 2.39 Å. O2- is bonded to three equivalent Rb1+ and three equivalent Eu3+ atoms to form a mixture of distorted edge and corner-sharing ORb3Eu3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195408
title: Materials Data on Fe(BMo)2 by Materials Project

description: Mo2FeB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mo2+ is bonded in a 6-coordinate geometry to two equivalent Fe2+ and six equivalent B3- atoms. Both Mo–Fe bond lengths are 2.46 Å. There are two shorter (2.29 Å) and four longer (2.38 Å) Mo–B bond lengths. Fe2+ is bonded to four equivalent Mo2+ and eight equivalent B3- atoms to form a mixture of distorted corner and face-sharing FeB8Mo4 cuboctahedra. All Fe–B bond lengths are 2.79 Å. B3- is bonded in a 6-coordinate geometry to six equivalent Mo2+ and four equivalent Fe2+ atoms.
DOI: 10.17188/1195409
title: Materials Data on NbInSe2 by Materials Project

description: NbInSe2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.61 Å. In1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both In–Se bond lengths are 3.02 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb3+ and one In1+ atom.
DOI: 10.17188/1195410
title: Materials Data on Be2Nb by Materials Project

description: NbBe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Be is bonded to six equivalent Be and six equivalent Nb atoms to form a mixture of face, edge, and corner-sharing BeBe6Nb6 cuboctahedra. All Be–Be bond lengths are 2.31 Å. All Be–Nb bond lengths are 2.71 Å. Nb is bonded in a 12-coordinate geometry to twelve equivalent Be and four equivalent Nb atoms. All Nb–Nb bond lengths are 2.83 Å.
DOI: 10.17188/1195411
title: Materials Data on DySiIr by Materials Project

description: DyIrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Si atoms. There are a spread of Dy–Ir bond distances ranging from 2.99–3.30 Å. There are a spread of Dy–Si bond distances ranging from 2.96–3.01 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Si atoms. There are a spread of Ir–Si bond distances ranging from 2.48–2.58 Å. Si is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Ir atoms.
DOI: 10.17188/1195412
title: Materials Data on CsPbF3 by Materials Project

description: PbCsF3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine equivalent F1- atoms. There are a spread of Cs–F bond distances ranging from 3.12–3.65 Å. Pb2+ is bonded to six equivalent F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are three shorter (2.41 Å) and three longer (2.54 Å) Pb–F bond lengths. F1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1195413
title: Materials Data on PdF2 by Materials Project

description: PdF2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent F1- atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Pd–F bond lengths are 2.19 Å. F1- is bonded in a trigonal planar geometry to three equivalent Pd2+ atoms.
DOI: 10.17188/1195414
title: Materials Data on NaPt3O4 by Materials Project

description: NaPt3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.50 Å. Pt+2.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Na1+ and three equivalent Pt+2.33+ atoms to form a mixture of edge and corner-sharing ONa2Pt3 trigonal bipyramids.
DOI: 10.17188/1195415
title: Materials Data on CeCO3F by Materials Project

description: CeCO3F crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to six O2- and three F1- atoms. There are four shorter (2.58 Å) and two longer (2.61 Å) Ce–O bond lengths. There are two shorter (2.41 Å) and one longer (2.44 Å) Ce–F bond lengths. 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. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one C4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Ce3+ atoms.
DOI: 10.17188/1195416
title: Materials Data on NaInS2 by Materials Project

description: NaInS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent InS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Na–S bond lengths are 2.91 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 7°. All In–S bond lengths are 2.67 Å. S2- is bonded to three equivalent Na1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing SNa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195417
title: Materials Data on TbCuPb by Materials Project

description: TbCuPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Pb atoms. There are three shorter (2.97 Å) and three longer (3.60 Å) Tb–Cu bond lengths. There are three shorter (3.17 Å) and three longer (3.34 Å) Tb–Pb bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Pb atoms. There are three shorter (2.76 Å) and one longer (3.01 Å) Cu–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Cu atoms.
DOI: 10.17188/1195418
title: Materials Data on YPb3 by Materials Project

description: Pb3Y is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing YPb12 cuboctahedra. All Y–Pb bond lengths are 3.47 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Y atoms.