cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1693191
title: Materials Data on TlP2HO7 by Materials Project

description: TlP2HO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl3+ is bonded to six O2- atoms to form TlO6 octahedra that share corners with six PO4 tetrahedra and an edgeedge with one TlO6 octahedra. There are a spread of Tl–O bond distances ranging from 2.22–2.35 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent TlO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–62°. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent TlO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–52°. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tl3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Tl3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Tl3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tl3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1693192
title: Materials Data on CuAsPtS2 by Materials Project

description: PtCuAsS2 is Hausmannite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent As5+ and three S2- atoms to form PtAs3S3 octahedra that share corners with four equivalent PtAs3S3 octahedra, a cornercorner with one AsPt3S tetrahedra, corners with three equivalent SCu2AsPt tetrahedra, corners with six equivalent CuS4 tetrahedra, and edges with two equivalent PtAs3S3 octahedra. The corner-sharing octahedral tilt angles are 63°. There are one shorter (2.47 Å) and two longer (2.48 Å) Pt–As bond lengths. There are one shorter (2.43 Å) and two longer (2.50 Å) Pt–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six equivalent PtAs3S3 octahedra, corners with two equivalent AsPt3S tetrahedra, and corners with four equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 61–66°. There are a spread of Cu–S bond distances ranging from 2.25–2.31 Å. As5+ is bonded to three equivalent Pt2- and one S2- atom to form AsPt3S tetrahedra that share a cornercorner with one PtAs3S3 octahedra, corners with two equivalent CuS4 tetrahedra, corners with six equivalent AsPt3S tetrahedra, corners with seven SCu2Pt2 tetrahedra, and an edgeedge with one SCu2Pt2 tetrahedra. The corner-sharing octahedral tilt angles are 77°. The As–S bond length is 2.30 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Pt2- and two equivalent Cu1+ atoms to form distorted SCu2Pt2 tetrahedra that share corners with four equivalent AsPt3S tetrahedra, corners with ten SCu2Pt2 tetrahedra, and an edgeedge with one AsPt3S tetrahedra. In the second S2- site, S2- is bonded to one Pt2-, two equivalent Cu1+, and one As5+ atom to form distorted SCu2AsPt tetrahedra that share corners with three equivalent PtAs3S3 octahedra, corners with three equivalent AsPt3S tetrahedra, and corners with eight SCu2Pt2 tetrahedra. The corner-sharing octahedra tilt angles range from 72–75°.
DOI: 10.17188/1693193
title: Materials Data on SrV2P2O9 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: 10.17188/1693194
title: Materials Data on PtN3O4 by Materials Project

description: PtN2ONO3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one azanide;platinum(2+);dihydrate molecule and two nitric acid molecules.
DOI: 10.17188/1693195
title: Materials Data on BaSnO3 by Materials Project

description: BaSnO3 is (Cubic) Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.83–3.11 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 4–8°. All Sn–O bond lengths are 2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Sn4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1693196
title: Materials Data on Al4Co13Si2(SbO14)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: 10.17188/1693197
title: Materials Data on ScB(PO5)2 by Materials Project

description: ScB(PO5)2 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. Sc is bonded to six O atoms to form ScO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Sc–O bond distances ranging from 2.03–2.30 Å. B is bonded to four O atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.47 Å) and two longer (1.49 Å) B–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent ScO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–45°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one B and one P atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Sc and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Sc and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one B and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Sc atom.
DOI: 10.17188/1693198
title: Materials Data on LiFeP2O7 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: 10.17188/1693199
title: Materials Data on AlH6BrO4 by Materials Project

description: Al(H3O2)2Br crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four hydrobromic acid molecules and two Al(H3O2)2 ribbons oriented in the (0, 0, 1) direction. In each Al(H3O2)2 ribbon, Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–1.99 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Al3+ and two H1+ atoms.
DOI: 10.17188/1693200
title: Materials Data on Ce3Cd by Materials Project

description: Ce3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Cd atoms to form distorted CeCe8Cd4 cuboctahedra that share corners with twelve equivalent CeCe8Cd4 cuboctahedra, edges with eight equivalent CdCe12 cuboctahedra, edges with sixteen CeCe8Cd4 cuboctahedra, faces with four equivalent CdCe12 cuboctahedra, and faces with fourteen CeCe8Cd4 cuboctahedra. There are four shorter (3.36 Å) and four longer (3.41 Å) Ce–Ce bond lengths. All Ce–Cd bond lengths are 3.41 Å. In the second Ce site, Ce is bonded to eight equivalent Ce and four equivalent Cd atoms to form distorted CeCe8Cd4 cuboctahedra that share corners with four equivalent CeCe8Cd4 cuboctahedra, corners with eight equivalent CdCe12 cuboctahedra, edges with twenty-four CeCe8Cd4 cuboctahedra, faces with six equivalent CdCe12 cuboctahedra, and faces with twelve CeCe8Cd4 cuboctahedra. All Ce–Cd bond lengths are 3.36 Å. Cd is bonded to twelve Ce atoms to form CdCe12 cuboctahedra that share corners with four equivalent CdCe12 cuboctahedra, corners with eight equivalent CeCe8Cd4 cuboctahedra, edges with eight equivalent CdCe12 cuboctahedra, edges with sixteen equivalent CeCe8Cd4 cuboctahedra, faces with four equivalent CdCe12 cuboctahedra, and faces with fourteen CeCe8Cd4 cuboctahedra.
DOI: 10.17188/1693201
title: Materials Data on Ba7Ca2Mn5O20 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: 10.17188/1693202
title: Materials Data on GaN 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: 10.17188/1693203
title: Materials Data on K6Cr2O9 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: 10.17188/1693204
title: Materials Data on LaMg2Sc by Materials Project

description: Mg2LaSc crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2LaSc ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to one La and one Sc atom. The Mg–La bond length is 3.11 Å. The Mg–Sc bond length is 3.00 Å. La is bonded in a linear geometry to two equivalent Mg atoms. Sc is bonded in a linear geometry to two equivalent Mg atoms.
DOI: 10.17188/1693205
title: Materials Data on V3Fe2Cu(PO4)6 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: 10.17188/1693206
title: Materials Data on YbZnRh by Materials Project

description: YbRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are two shorter (2.90 Å) and three longer (2.94 Å) Yb–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Zn atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Rh–Zn bond lengths. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.
DOI: 10.17188/1693207
title: Materials Data on VOs by Materials Project

description: VOs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. V2+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms. All V–Os bond lengths are 2.66 Å. Os2- is bonded to six equivalent V2+ atoms to form a mixture of distorted edge, face, and corner-sharing OsV6 cuboctahedra.
DOI: 10.17188/1693208
title: Materials Data on Zr2Te4Br2O11 by Materials Project

description: Zr2Te4O11Br2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to seven O2- atoms to form a mixture of corner and edge-sharing ZrO7 pentagonal bipyramids. There are a spread of Zr–O bond distances ranging from 2.04–2.35 Å. In the second Zr4+ site, Zr4+ is bonded to seven O2- atoms to form a mixture of corner and edge-sharing ZrO7 pentagonal bipyramids. There are a spread of Zr–O bond distances ranging from 2.05–2.35 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Br1- atoms. There are a spread of Te–O bond distances ranging from 1.85–1.97 Å. There are one shorter (3.01 Å) and one longer (3.47 Å) Te–Br bond lengths. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- and one Br1- atom. There is one shorter (1.88 Å) and two longer (1.89 Å) Te–O bond length. The Te–Br bond length is 3.46 Å. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- and one Br1- atom. There are a spread of Te–O bond distances ranging from 1.85–1.97 Å. The Te–Br bond length is 2.98 Å. In the fourth Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.11 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Zr4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Zr4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Zr4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Zr4+ and two Te4+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zr4+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Zr4+ and two Te4+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zr4+ and one Te4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zr4+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a linear geometry to one Zr4+ and one Te4+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to one Te4+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to three Te4+ atoms.
DOI: 10.17188/1693209
title: Materials Data on Sb3RhPb4O13 by Materials Project

description: RhPb4Sb3O13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent SbO6 octahedra and edges with six equivalent PbO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 46–47°. There are three shorter (2.07 Å) and three longer (2.09 Å) Rh–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to seven O2- atoms to form distorted PbO7 hexagonal pyramids that share corners with three equivalent PbO7 hexagonal pyramids, edges with three equivalent PbO7 hexagonal pyramids, and edges with six equivalent SbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.29–2.69 Å. In the second Pb2+ site, Pb2+ is bonded to seven O2- atoms to form distorted PbO7 hexagonal pyramids that share corners with three PbO7 hexagonal pyramids, edges with three PbO7 hexagonal pyramids, edges with two equivalent RhO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.35–2.66 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent RhO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with six PbO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of Sb–O bond distances ranging from 1.99–2.05 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four Pb2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Rh3+, two equivalent Pb2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Pb2+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Rh3+, two equivalent Pb2+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Pb2+ and two equivalent Sb5+ atoms.
DOI: 10.17188/1693210
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is Fluorite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.97–2.99 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four equivalent Ce4+ atoms to form a mixture of edge and corner-sharing SeCe4 tetrahedra. In the second Se2- site, Se2- is bonded to four equivalent Ce4+ atoms to form a mixture of edge and corner-sharing SeCe4 tetrahedra.
DOI: 10.17188/1693211
title: Materials Data on TiVO4 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: 10.17188/1693212
title: Materials Data on GaN 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: 10.17188/1693213
title: Materials Data on Zn3Si3(WO6)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: 10.17188/1693215
title: Materials Data on ScFeRh2 by Materials Project

description: ScFeRh2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScFeRh2 ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.18 Å. Fe is bonded in a linear geometry to two equivalent Rh atoms. Both Fe–Rh bond lengths are 2.31 Å. Rh is bonded in a linear geometry to one Sc and one Fe atom.
DOI: 10.17188/1693216
title: Materials Data on La2MnZnO6 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: 10.17188/1693217
title: Materials Data on HoInPt2 by Materials Project

description: HoPt2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho3+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt2- atoms. All Ho–Pt bond lengths are 2.85 Å. Pt2- is bonded in a 8-coordinate geometry to three equivalent Ho3+, one Pt2-, and four equivalent In1+ atoms. The Pt–Pt bond length is 2.68 Å. There are one shorter (2.92 Å) and three longer (3.04 Å) Pt–In bond lengths. In1+ is bonded in a 8-coordinate geometry to eight equivalent Pt2- atoms.
DOI: 10.17188/1693218
title: Materials Data on Na5LuH4(C2O7)2 by Materials Project

description: Na5LuH4(C2O7)2 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.32 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.72 Å. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.33 Å) Lu–O bond lengths. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.32 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Lu3+, and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Lu3+, and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two equivalent H1+ atoms.
DOI: 10.17188/1693219
title: Materials Data on Mn5Nb(PO4)6 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: 10.17188/1693220
title: Materials Data on YErNi2 by Materials Project

description: ErYNi2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Er–Ni bond distances ranging from 2.85–2.96 Å. Y is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.86–2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Er, four equivalent Y, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Er, three equivalent Y, and two equivalent Ni atoms.
DOI: 10.5517/ccdc.csd.cc220rc7
title: CCDC 1907348: Experimental Crystal Structure Determination

description: Related Article: Rui-Rong Dai, Chong-Wei Ding, Jie-Yi Zhou, Rong-Jia Wei, Xue-Zhi Wang, Xiao-Ping Zhou, Dan Li|2021|Inorg.Chem.|60|565|doi:10.1021/acs.inorgchem.0c03216