cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1189418
title: Materials Data on BN by Materials Project

description: BN is Boron Nitride-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three BN sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.45 Å. N3- is bonded in a trigonal planar geometry to three equivalent B3+ atoms.
DOI: 10.17188/1189419
title: Materials Data on BN by Materials Project

description: BN is beta beryllia structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. B3+ is bonded to four equivalent N3- atoms to form a mixture of edge and corner-sharing BN4 tetrahedra. There is two shorter (1.54 Å) and two longer (1.60 Å) B–N bond length. N3- is bonded to four equivalent B3+ atoms to form a mixture of edge and corner-sharing NB4 tetrahedra.
DOI: 10.17188/1189420
title: Materials Data on TiSe by Materials Project

description: TiSe is lead oxide structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one TiSe sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing TiSe4 tetrahedra. All Ti–Se bond lengths are 2.53 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Ti2+ atoms.
DOI: 10.17188/1189421
title: Materials Data on Fe3C by Materials Project

description: Fe3C is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Fe is bonded in a bent 120 degrees geometry to two equivalent C atoms. Both Fe–C bond lengths are 1.92 Å. C is bonded to six equivalent Fe atoms to form corner-sharing CFe6 octahedra. The corner-sharing octahedral tilt angles are 52°.
DOI: 10.17188/1189422
title: Materials Data on Hf2Ag by Materials Project

description: AgHf2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two AgHf2 sheets oriented in the (0, 0, 1) direction. Hf is bonded in a 12-coordinate geometry to four equivalent Ag atoms. All Hf–Ag bond lengths are 3.03 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1189423
title: Materials Data on HfAg by Materials Project

description: AgHf is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two AgHf sheets oriented in the (0, 0, 1) direction. Hf is bonded in a 10-coordinate geometry to four equivalent Ag atoms. All Hf–Ag bond lengths are 2.92 Å. Ag is bonded in a 10-coordinate geometry to four equivalent Hf atoms.
DOI: 10.17188/1189424
title: Materials Data on GdZnGe by Materials Project

description: GdZnGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Ge atoms. All Gd–Zn bond lengths are 2.96 Å. All Gd–Ge bond lengths are 3.29 Å. In the second Gd site, Gd is bonded to six equivalent Ge atoms to form distorted edge-sharing GdGe6 octahedra. All Gd–Ge bond lengths are 3.06 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Gd and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.53 Å. Ge is bonded in a 6-coordinate geometry to six Gd and three equivalent Zn atoms.
DOI: 10.17188/1189425
title: Materials Data on YZnGe by Materials Project

description: YZnGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Ge atoms. All Y–Zn bond lengths are 2.94 Å. All Y–Ge bond lengths are 3.26 Å. In the second Y site, Y is bonded to six equivalent Ge atoms to form distorted edge-sharing YGe6 octahedra. All Y–Ge bond lengths are 3.04 Å. Zn is bonded in a 3-coordinate geometry to three equivalent Y and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.51 Å. Ge is bonded in a 6-coordinate geometry to six Y and three equivalent Zn atoms.
DOI: 10.17188/1189426
title: Materials Data on ZnO by Materials Project

description: ZnO is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Zn–O bond lengths are 2.33 Å. O2- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms.
DOI: 10.17188/1189427
title: Materials Data on TbZnSn2 by Materials Project

description: TbZnSn2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb is bonded to four equivalent Zn and eight Sn atoms to form a mixture of face, edge, and corner-sharing TbZn4Sn8 cuboctahedra. All Tb–Zn bond lengths are 3.28 Å. There are four shorter (3.16 Å) and four longer (3.32 Å) Tb–Sn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Sn atoms. All Zn–Sn bond lengths are 2.85 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Zn atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.10 Å.
DOI: 10.17188/1189428
title: Materials Data on TbZnSn by Materials Project

description: TbZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Tb–Zn bond lengths are 2.98 Å. All Tb–Sn bond lengths are 3.40 Å. In the second Tb site, Tb is bonded to six equivalent Sn atoms to form edge-sharing TbSn6 octahedra. All Tb–Sn bond lengths are 3.18 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Tb and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.71 Å. Sn is bonded in a 6-coordinate geometry to six Tb and three equivalent Zn atoms.
DOI: 10.17188/1189429
title: Materials Data on Ti2Pd by Materials Project

description: Ti2Pd crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Ti2Pd sheets oriented in the (0, 0, 1) direction. Ti is bonded in a 8-coordinate geometry to four equivalent Pd atoms. All Ti–Pd bond lengths are 2.75 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1189430
title: Materials Data on YbAgO2 by Materials Project

description: YbAgO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent O2- atoms to form edge-sharing YbO6 octahedra. All Yb–O bond lengths are 2.31 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 1.99 Å. O2- is bonded to three equivalent Yb3+ and one Ag1+ atom to form a mixture of distorted corner and edge-sharing OYb3Ag tetrahedra.
DOI: 10.17188/1189432
title: Materials Data on KNaGdNbO5 by Materials Project

description: KNaGdNbO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All K–O bond lengths are 2.88 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent NbO5 trigonal bipyramids. There are four shorter (2.30 Å) and one longer (2.34 Å) Na–O bond lengths. Gd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Gd–O bond lengths are 2.45 Å. Nb5+ is bonded to five O2- atoms to form distorted NbO5 trigonal bipyramids that share corners with five equivalent NaO5 trigonal bipyramids. There is one shorter (1.88 Å) and four longer (1.98 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+, one Na1+, and one Nb5+ atom to form distorted OK4NaNb octahedra that share corners with four equivalent OK4NaNb octahedra, corners with eight equivalent ONaGd2Nb tetrahedra, and edges with four equivalent OK4NaNb octahedra. The corner-sharing octahedral tilt angles are 12°. In the second O2- site, O2- is bonded to one Na1+, two equivalent Gd3+, and one Nb5+ atom to form distorted ONaGd2Nb tetrahedra that share corners with two equivalent OK4NaNb octahedra, corners with ten equivalent ONaGd2Nb tetrahedra, and edges with five equivalent ONaGd2Nb tetrahedra. The corner-sharing octahedra tilt angles range from 70–72°.
DOI: 10.17188/1189433
title: Materials Data on YMgCu by Materials Project

description: YCuMg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six equivalent Y and four Cu atoms. There are two shorter (3.25 Å) and four longer (3.35 Å) Mg–Y bond lengths. There are two shorter (2.69 Å) and two longer (2.90 Å) Mg–Cu bond lengths. Y is bonded in a 5-coordinate geometry to six equivalent Mg and five Cu atoms. There are four shorter (3.00 Å) and one longer (3.10 Å) Y–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Y atoms. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Y atoms.
DOI: 10.17188/1189434
title: Materials Data on YMgCu4 by Materials Project

description: YMgCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Cu atoms. All Mg–Y bond lengths are 3.13 Å. All Mg–Cu bond lengths are 2.99 Å. Y is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Cu atoms. All Y–Cu bond lengths are 3.00 Å. Cu is bonded to three equivalent Mg, three equivalent Y, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuY3Mg3Cu6 cuboctahedra. There are three shorter (2.53 Å) and three longer (2.58 Å) Cu–Cu bond lengths.
DOI: 10.17188/1189435
title: Materials Data on PtN by Materials Project

description: PtN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt2+ is bonded to six equivalent N2- atoms to form a mixture of edge, corner, and face-sharing PtN6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Pt–N bond lengths are 2.26 Å. N2- is bonded to six equivalent Pt2+ atoms to form a mixture of distorted edge and corner-sharing NPt6 pentagonal pyramids.
DOI: 10.17188/1189436
title: Materials Data on PtN by Materials Project

description: PtN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pt2+ is bonded to four equivalent N2- atoms to form corner-sharing PtN4 tetrahedra. All Pt–N bond lengths are 2.07 Å. N2- is bonded to four equivalent Pt2+ atoms to form corner-sharing NPt4 tetrahedra.
DOI: 10.17188/1189437
title: Materials Data on PtN by Materials Project

description: PtN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pt2+ is bonded to six equivalent N2- atoms to form a mixture of corner and edge-sharing PtN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–N bond lengths are 2.25 Å. N2- is bonded to six equivalent Pt2+ atoms to form a mixture of corner and edge-sharing NPt6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1189438
title: Materials Data on AlN by Materials Project

description: AlN is Wurtzite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Al3+ is bonded to five equivalent N3- atoms to form a mixture of corner and edge-sharing AlN5 trigonal bipyramids. There are three shorter (1.91 Å) and two longer (2.09 Å) Al–N bond lengths. N3- is bonded to five equivalent Al3+ atoms to form a mixture of corner and edge-sharing NAl5 trigonal bipyramids.
DOI: 10.17188/1189439
title: Materials Data on LaF3 by Materials Project

description: LaF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.54 Å) and six longer (2.93 Å) La–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent La3+ and eight equivalent F1- atoms. All F–F bond lengths are 2.54 Å. In the second F1- site, F1- is bonded to four equivalent La3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FLa4F4 tetrahedra.
DOI: 10.17188/1189440
title: Materials Data on Li2TiGeO5 by Materials Project

description: Li2TiGeO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent GeO4 tetrahedra, and edges with four equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four shorter (2.08 Å) and two longer (2.57 Å) Li–O bond lengths. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.72 Å) and four longer (1.99 Å) Ti–O bond length. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with eight equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 64°. All Ge–O bond lengths are 1.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Ti4+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OLi2TiGe tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Li1+ and one Ti4+ atom.
DOI: 10.17188/1189441
title: Materials Data on SrLuCuS3 by Materials Project

description: SrLuCuS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 2.99–3.49 Å. Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with two equivalent LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are two shorter (2.69 Å) and four longer (2.70 Å) Lu–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and edges with four equivalent LuS6 octahedra. There are two shorter (2.32 Å) and two longer (2.37 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Sr2+, two equivalent Lu3+, and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SSr2Lu2Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Sr2+, two equivalent Lu3+, and one Cu1+ atom.
DOI: 10.17188/1189443
title: Materials Data on KRb2GaF6 by Materials Project

description: Rb2KGaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent KF6 octahedra, and faces with four equivalent GaF6 octahedra. All Rb–F bond lengths are 3.19 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.56 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.93 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one Ga3+ atom.
DOI: 10.17188/1189444
title: Materials Data on Sc6ReO12 by Materials Project

description: Sc6ReO12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sc3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sc–O bond distances ranging from 2.06–2.22 Å. Re6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sc3+ and one Re6+ atom. In the second O2- site, O2- is bonded to four equivalent Sc3+ atoms to form a mixture of corner and edge-sharing OSc4 tetrahedra.
DOI: 10.17188/1189445
title: Materials Data on In6ReO12 by Materials Project

description: In6ReO12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Re6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. In3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of In–O bond distances ranging from 2.11–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded to four equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OIn4 tetrahedra.
DOI: 10.17188/1189446
title: Materials Data on PrSbO4 by Materials Project

description: PrSbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.35–2.92 Å. Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–44°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Pr3+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OPr3Sb tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Pr3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Pr3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pr3+ and two equivalent Sb5+ atoms.
DOI: 10.17188/1189447
title: Materials Data on NdSbO4 by Materials Project

description: NdSbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.33–2.91 Å. Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 36–45°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Nd3+ and one Sb5+ atom to form a mixture of distorted corner and edge-sharing ONd3Sb tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Nd3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Nd3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two equivalent Sb5+ atoms.
DOI: 10.17188/1189448
title: Materials Data on SmSbO4 by Materials Project

description: SmSbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.30–2.90 Å. Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–46°. There are a spread of Sb–O bond distances ranging from 1.97–2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sm3+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OSm3Sb tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sm3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Sb5+ atoms.
DOI: 10.17188/1189450
title: Materials Data on Ca by Materials Project

description: Ca is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Ca atoms to form a mixture of corner, edge, and face-sharing CaCa12 cuboctahedra. There are six shorter (3.90 Å) and six longer (3.93 Å) Ca–Ca bond lengths.
DOI: 10.17188/1189451
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.05–3.10 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five equivalent Ce4+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Ce4+ atoms.
DOI: 10.17188/1189452
title: Materials Data on LuCuSn by Materials Project

description: LuCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.87 Å) and three longer (3.49 Å) Lu–Cu bond lengths. There are three shorter (3.07 Å) and three longer (3.22 Å) Lu–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Sn atoms. There are three shorter (2.68 Å) and one longer (2.87 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Cu atoms.
DOI: 10.17188/1189453
title: Materials Data on YCuSn by Materials Project

description: YCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.94 Å) and three longer (3.51 Å) Y–Cu bond lengths. There are three shorter (3.12 Å) and three longer (3.28 Å) Y–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Sn atoms. There are three shorter (2.70 Å) and one longer (3.00 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Cu atoms.
DOI: 10.17188/1189454
title: Materials Data on ScCuSn by Materials Project

description: ScCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.81 Å) and three longer (3.41 Å) Sc–Cu bond lengths. There are three shorter (3.01 Å) and three longer (3.15 Å) Sc–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Sn atoms. There are three shorter (2.64 Å) and one longer (2.76 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Cu atoms.