cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1751537
title: Materials Data on Bi2Pd3S2 by Materials Project

description: Pd3Bi2S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted linear geometry to four Bi and two equivalent S atoms. There are two shorter (2.94 Å) and two longer (2.95 Å) Pd–Bi bond lengths. Both Pd–S bond lengths are 2.38 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are a spread of Pd–Bi bond distances ranging from 2.77–3.15 Å. Both Pd–S bond lengths are 2.36 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.85 Å) and two longer (3.04 Å) Pd–Bi bond lengths. Both Pd–S bond lengths are 2.37 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Pd atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Pd atoms. S is bonded in a distorted T-shaped geometry to three Pd atoms.
DOI: 10.17188/1751538
title: Materials Data on LiFe(CO3)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751539
title: Materials Data on LaMgAg by Materials Project

description: LaAgMg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Ag atoms. There are two shorter (2.90 Å) and two longer (3.08 Å) Mg–Ag bond lengths. La is bonded in a 5-coordinate geometry to five Ag atoms. There are four shorter (3.24 Å) and one longer (3.28 Å) La–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent La atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent La atoms.
DOI: 10.17188/1751540
title: Materials Data on RbCoCuS2 by Materials Project

description: RbCoCuS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Rb–S bond lengths are 3.46 Å. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and edges with four equivalent CuS4 tetrahedra. All Co–S bond lengths are 2.28 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and edges with four equivalent CoS4 tetrahedra. All Cu–S bond lengths are 2.28 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Rb1+, two equivalent Co2+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1751541
title: Materials Data on CsNd(MoO4)2 by Materials Project

description: CsNd(MoO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.26–3.60 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.61 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Nd3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Nd3+, and one Mo6+ atom.
DOI: 10.17188/1751542
title: Materials Data on TaTiTlO5 by Materials Project

description: TiTaTlO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share a cornercorner with one TaO6 octahedra, corners with two equivalent TiO6 octahedra, edges with two equivalent TiO6 octahedra, and edges with three equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 4–32°. There are a spread of Ti–O bond distances ranging from 1.80–2.31 Å. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share a cornercorner with one TiO6 octahedra, corners with two equivalent TaO6 octahedra, and edges with three equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–32°. There are a spread of Ta–O bond distances ranging from 1.82–2.35 Å. Tl1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.81–3.29 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ti4+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ti4+, one Ta5+, and two equivalent Tl1+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ta5+ and four equivalent Tl1+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to one Ti4+, one Ta5+, and two equivalent Tl1+ atoms.
DOI: 10.17188/1751543
title: Materials Data on ScCoSi by Materials Project

description: ScCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc2+ is bonded to five equivalent Si4- atoms to form distorted ScSi5 trigonal bipyramids that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent ScSi5 trigonal bipyramids, edges with six equivalent CoSi4 tetrahedra, and edges with six equivalent ScSi5 trigonal bipyramids. There are a spread of Sc–Si bond distances ranging from 2.75–2.83 Å. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent ScSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with six equivalent ScSi5 trigonal bipyramids. There are three shorter (2.33 Å) and one longer (2.44 Å) Co–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Sc2+ and four equivalent Co2+ atoms.
DOI: 10.17188/1751545
title: Materials Data on Li5Yb4Sn5 by Materials Project

description: Li5Yb4Sn5 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded in a distorted body-centered cubic geometry to four Yb and four Sn atoms. There are one shorter (2.94 Å) and three longer (2.95 Å) Li–Yb bond lengths. There are one shorter (2.79 Å) and three longer (2.96 Å) Li–Sn bond lengths. In the second Li site, Li is bonded in a body-centered cubic geometry to four Yb and four Sn atoms. There are one shorter (2.72 Å) and three longer (2.92 Å) Li–Yb bond lengths. There are one shorter (2.80 Å) and three longer (3.03 Å) Li–Sn bond lengths. In the third Li site, Li is bonded in a 4-coordinate geometry to four Yb and seven Sn atoms. There are three shorter (3.21 Å) and one longer (3.24 Å) Li–Yb bond lengths. There are a spread of Li–Sn bond distances ranging from 2.85–3.35 Å. In the fourth Li site, Li is bonded in a trigonal planar geometry to three equivalent Li, three equivalent Yb, and three equivalent Sn atoms. All Li–Li bond lengths are 3.04 Å. All Li–Yb bond lengths are 3.47 Å. All Li–Sn bond lengths are 2.83 Å. In the fifth Li site, Li is bonded in a 11-coordinate geometry to three equivalent Li, four Yb, and four Sn atoms. There are one shorter (3.15 Å) and three longer (3.36 Å) Li–Yb bond lengths. There are three shorter (3.07 Å) and one longer (3.26 Å) Li–Sn bond lengths. There are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to seven Li and six Sn atoms. There are three shorter (3.32 Å) and three longer (3.42 Å) Yb–Sn bond lengths. In the second Yb site, Yb is bonded in a 10-coordinate geometry to four Li and six Sn atoms. There are three shorter (3.38 Å) and three longer (3.49 Å) Yb–Sn bond lengths. In the third Yb site, Yb is bonded in a 11-coordinate geometry to four Li and seven Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.26–3.39 Å. In the fourth Yb site, Yb is bonded in a 4-coordinate geometry to four Li and four Sn atoms. There are one shorter (3.03 Å) and three longer (3.17 Å) Yb–Sn bond lengths. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to four Li, four Yb, and three equivalent Sn atoms. All Sn–Sn bond lengths are 3.17 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Li and six Yb atoms. In the third Sn site, Sn is bonded in a distorted trigonal planar geometry to three equivalent Li, three equivalent Yb, and three equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to seven Li and four Yb atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six Yb atoms.
DOI: 10.17188/1751546
title: Materials Data on ZrPt3 by Materials Project

description: Pt3Zr is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to twelve Pt+0.67- atoms to form a mixture of face and corner-sharing ZrPt12 cuboctahedra. There are six shorter (2.87 Å) and six longer (2.89 Å) Zr–Pt bond lengths. In the second Zr2+ site, Zr2+ is bonded to twelve Pt+0.67- atoms to form a mixture of face and corner-sharing ZrPt12 cuboctahedra. All Zr–Pt bond lengths are 2.87 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a distorted see-saw-like geometry to four Zr2+ atoms. In the second Pt+0.67- site, Pt+0.67- is bonded in a distorted square co-planar geometry to four Zr2+ atoms.
DOI: 10.17188/1751547
title: Materials Data on Gd2NbGaO7 by Materials Project

description: Gd2NbGaO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to eight O2- atoms to form distorted GdO8 hexagonal bipyramids that share edges with two equivalent GdO8 hexagonal bipyramids, edges with two equivalent GaO6 octahedra, and edges with four equivalent NbO6 octahedra. There are a spread of Gd–O bond distances ranging from 2.23–2.56 Å. In the second Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.55 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent GaO6 octahedra, and edges with four equivalent GdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 48–49°. There are four shorter (2.00 Å) and two longer (2.04 Å) Nb–O bond lengths. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with two equivalent GaO6 octahedra, corners with four equivalent NbO6 octahedra, and edges with two equivalent GdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–51°. There are two shorter (2.00 Å) and four longer (2.04 Å) Ga–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form corner-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Gd3+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Gd3+ and two equivalent Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Gd3+, one Nb5+, and one Ga3+ atom.
DOI: 10.17188/1751548
title: Materials Data on Nd2EuBeO5 by Materials Project

description: BeEuNd2O5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Be–O bond distances ranging from 1.61–1.70 Å. Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.54–2.86 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.90 Å. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.48–2.80 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Eu2+ and four Nd3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Be2+, two equivalent Eu2+, and three Nd3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Be2+, two equivalent Eu2+, and three Nd3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Be2+, one Eu2+, and four Nd3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Be2+, two equivalent Eu2+, and three Nd3+ atoms.
DOI: 10.17188/1751549
title: Materials Data on LiMnF3 by Materials Project

description: LiMnF3 is Marcasite-derived structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form distorted LiF4 tetrahedra that share corners with eight equivalent MnF6 octahedra and corners with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–73°. There is two shorter (1.93 Å) and two longer (1.99 Å) Li–F bond length. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra, corners with eight equivalent LiF4 tetrahedra, and edges with two equivalent MnF6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are four shorter (2.12 Å) and two longer (2.24 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn2+ atoms to form corner-sharing FLi2Mn2 tetrahedra.
DOI: 10.17188/1751550
title: Materials Data on LiCrP2O7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751551
title: Materials Data on NbCr3(CuS4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751552
title: Materials Data on P(HO)3 by Materials Project

description: H3PO3 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of four phosphorous acid molecules and two H3PO3 ribbons oriented in the (0, 1, 0) direction. In each H3PO3 ribbon, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.61 Å) and two longer (1.64 Å) P–O bond length. There are three inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H+0.33+ site, H+0.33+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one H+0.33+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H+0.33+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one P5+ and two H+0.33+ atoms.
DOI: 10.17188/1751553
title: Materials Data on Li2Fe3(PO4)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751554
title: Materials Data on Bi3P by Materials Project

description: Bi3P crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Bi3P ribbons oriented in the (0, 0, 1) direction. Bi1+ is bonded in a water-like geometry to two equivalent P3- atoms. Both Bi–P bond lengths are 3.21 Å. P3- is bonded in a 6-coordinate geometry to six equivalent Bi1+ atoms.
DOI: 10.17188/1751555
title: Materials Data on Na3AlN2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751556
title: Materials Data on Pr2Y2O5 by Materials Project

description: Pr2Y2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five O atoms. There are four shorter (2.25 Å) and one longer (2.87 Å) Pr–O bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Y–O bond lengths are 2.40 Å. In the second Y site, Y is bonded in a square co-planar geometry to four equivalent O atoms. All Y–O bond lengths are 2.77 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Pr and two equivalent Y atoms to form OPr2Y2 tetrahedra that share corners with two equivalent OPr2Y4 octahedra, corners with ten equivalent OPr2Y2 tetrahedra, and edges with five equivalent OPr2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second O site, O is bonded to two equivalent Pr and four equivalent Y atoms to form OPr2Y4 octahedra that share corners with four equivalent OPr2Y4 octahedra, corners with eight equivalent OPr2Y2 tetrahedra, and edges with four equivalent OPr2Y4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1751558
title: Materials Data on LiBH4 by Materials Project

description: LiBH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight H+0.50+ atoms. There are a spread of Li–H bond distances ranging from 1.94–2.26 Å. B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. There is one shorter (1.22 Å) and three longer (1.23 Å) B–H bond length. There are three inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a water-like geometry to one Li1+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a 1-coordinate geometry to three equivalent Li1+ and one B3- atom.
DOI: 10.17188/1751559
title: Materials Data on RuRhS4 by Materials Project

description: RuRhS4 is Pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ru5+ is bonded to six S2- atoms to form RuS6 octahedra that share corners with four equivalent RuS6 octahedra, corners with eight equivalent RhS6 octahedra, and corners with six SRu2RhS tetrahedra. The corner-sharing octahedra tilt angles range from 63–65°. There are two shorter (2.35 Å) and four longer (2.37 Å) Ru–S bond lengths. Rh3+ is bonded to six S2- atoms to form RhS6 octahedra that share corners with four equivalent RhS6 octahedra, corners with eight equivalent RuS6 octahedra, and corners with six SRu2RhS tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°. There are four shorter (2.40 Å) and two longer (2.41 Å) Rh–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ru5+, one Rh3+, and one S2- atom to form distorted SRu2RhS tetrahedra that share a cornercorner with one RhS6 octahedra, corners with two equivalent RuS6 octahedra, and corners with fifteen SRu2RhS tetrahedra. The corner-sharing octahedra tilt angles range from 77–79°. The S–S bond length is 2.27 Å. In the second S2- site, S2- is bonded to one Ru5+, two equivalent Rh3+, and one S2- atom to form distorted SRuRh2S tetrahedra that share a cornercorner with one RuS6 octahedra, corners with two equivalent RhS6 octahedra, and corners with fifteen SRu2RhS tetrahedra. The corner-sharing octahedra tilt angles range from 76–79°. The S–S bond length is 2.27 Å.
DOI: 10.17188/1751560
title: Materials Data on Li8VFe7(PO4)12 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751561
title: Materials Data on Ac3Au by Materials Project

description: Ac3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded in a distorted square co-planar geometry to four equivalent Au atoms. All Ac–Au bond lengths are 3.71 Å. Au is bonded to twelve equivalent Ac atoms to form a mixture of corner and face-sharing AuAc12 cuboctahedra.
DOI: 10.17188/1751562
title: Materials Data on EuCuSn by Materials Project

description: EuCuSn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are a spread of Eu–Cu bond distances ranging from 3.14–3.63 Å. There are a spread of Eu–Sn bond distances ranging from 3.27–3.49 Å. Cu is bonded in a 10-coordinate geometry to six equivalent Eu, one Cu, and three equivalent Sn atoms. The Cu–Cu bond length is 2.66 Å. There are two shorter (2.69 Å) and one longer (2.92 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Eu, three equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.98 Å.
DOI: 10.17188/1751563
title: Materials Data on Nb2N by Materials Project

description: Nb2N is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Nb2N sheet oriented in the (0, 0, 1) direction. Nb is bonded in a distorted T-shaped geometry to three equivalent N atoms. All Nb–N bond lengths are 2.18 Å. N is bonded to six equivalent Nb atoms to form edge-sharing NNb6 octahedra.