cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1695365
title: Materials Data on CeBeO3 by Materials Project

description: BeCeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.80 Å. Ce4+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share corners with twelve equivalent CeO12 cuboctahedra, faces with six equivalent CeO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ce–O bond lengths are 2.55 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Ce4+ atoms.
DOI: 10.17188/1695366
title: Materials Data on ZnGaCo2 by Materials Project

description: Co2ZnGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Co2ZnGa ribbons oriented in the (1, 0, 0) direction. Co is bonded in a linear geometry to one Zn and one Ga atom. The Co–Zn bond length is 2.47 Å. The Co–Ga bond length is 2.35 Å. Zn is bonded in a linear geometry to two equivalent Co atoms. Ga is bonded in a linear geometry to two equivalent Co atoms.
DOI: 10.17188/1695368
title: Materials Data on YPtAu2 by Materials Project

description: YPtAu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YPtAu2 ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Au atoms. Both Y–Au bond lengths are 2.57 Å. Pt is bonded in a linear geometry to two equivalent Au atoms. Both Pt–Au bond lengths are 2.53 Å. Au is bonded in a linear geometry to one Y and one Pt atom.
DOI: 10.17188/1695369
title: Materials Data on K2LiMoCl6 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: 10.17188/1695371
title: Materials Data on Bi2S2O by Materials Project

description: Bi2OS2 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiO sheet oriented in the (0, 0, 1) direction and one BiS2 sheet oriented in the (0, 0, 1) direction. In the BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.36 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the BiS2 sheet, Bi3+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Bi–S bond distances ranging from 2.54–3.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one Bi3+ atom.
DOI: 10.17188/1695372
title: Materials Data on Li4Mn3Co3(SbO8)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: 10.17188/1695373
title: Materials Data on La3Ta by Materials Project

description: La3Ta is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to eight La and four equivalent Ta atoms to form distorted LaLa8Ta4 cuboctahedra that share corners with twelve equivalent LaLa8Ta4 cuboctahedra, edges with eight equivalent TaLa12 cuboctahedra, edges with sixteen LaLa8Ta4 cuboctahedra, faces with four equivalent TaLa12 cuboctahedra, and faces with fourteen LaLa8Ta4 cuboctahedra. All La–La bond lengths are 3.47 Å. All La–Ta bond lengths are 3.47 Å. In the second La site, La is bonded to eight equivalent La and four equivalent Ta atoms to form distorted LaLa8Ta4 cuboctahedra that share corners with four equivalent LaLa8Ta4 cuboctahedra, corners with eight equivalent TaLa12 cuboctahedra, edges with twenty-four LaLa8Ta4 cuboctahedra, faces with six equivalent TaLa12 cuboctahedra, and faces with twelve LaLa8Ta4 cuboctahedra. All La–Ta bond lengths are 3.47 Å. Ta is bonded to twelve La atoms to form TaLa12 cuboctahedra that share corners with four equivalent TaLa12 cuboctahedra, corners with eight equivalent LaLa8Ta4 cuboctahedra, edges with eight equivalent TaLa12 cuboctahedra, edges with sixteen equivalent LaLa8Ta4 cuboctahedra, faces with four equivalent TaLa12 cuboctahedra, and faces with fourteen LaLa8Ta4 cuboctahedra.
DOI: 10.17188/1695374
title: Materials Data on Li2CrCoO4 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: 10.17188/1695375
title: Materials Data on Ir3F by Materials Project

description: Ir3F is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ir and four equivalent F atoms to form a mixture of distorted face, edge, and corner-sharing IrIr4F4 tetrahedra. All Ir–Ir bond lengths are 2.62 Å. All Ir–F bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. F is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1695376
title: Materials Data on Er3(SiNi3)2 by Materials Project

description: Er3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.81 Å) and four longer (2.92 Å) Er–Ni bond lengths. All Er–Si bond lengths are 3.10 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Er, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.52 Å. Both Ni–Si bond lengths are 2.40 Å. Si is bonded to six equivalent Er and six equivalent Ni atoms to form a mixture of face and corner-sharing SiEr6Ni6 cuboctahedra.
DOI: 10.17188/1695377
title: Materials Data on CuH by Materials Project

description: CuH is Wurtzite structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CuH sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded in a 3-coordinate geometry to four equivalent H1- atoms. There is three shorter (1.69 Å) and one longer (2.17 Å) Cu–H bond length. H1- is bonded to four equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing HCu4 tetrahedra.
DOI: 10.17188/1695378
title: Materials Data on TaCr3(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: 10.17188/1695379
title: Materials Data on Sr2TiMnO6 by Materials Project

description: Sr2TiMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent TiO6 octahedra, and faces with four equivalent MnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.74–2.79 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent TiO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.96 Å) and two longer (1.97 Å) Ti–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent MnO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.92 Å) and four longer (1.96 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ti4+, and one Mn4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Mn4+ atoms.
DOI: 10.17188/1695380
title: Materials Data on RbHgSbTe3 by Materials Project

description: RbHgSbTe3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.76–4.09 Å. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with two equivalent HgTe4 tetrahedra and edges with four equivalent SbTe6 octahedra. There are a spread of Hg–Te bond distances ranging from 2.82–2.96 Å. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent SbTe6 octahedra, edges with two equivalent SbTe6 octahedra, and edges with four equivalent HgTe4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sb–Te bond distances ranging from 2.91–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and two equivalent Sb3+ atoms.
DOI: 10.17188/1695381
title: Materials Data on VFeCoAs by Materials Project

description: VFeCoAs is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to four equivalent Fe, four equivalent Co, and six equivalent As atoms. All V–Fe bond lengths are 2.50 Å. All V–Co bond lengths are 2.50 Å. All V–As bond lengths are 2.89 Å. Fe is bonded in a body-centered cubic geometry to four equivalent V and four equivalent As atoms. All Fe–As bond lengths are 2.50 Å. Co is bonded in a body-centered cubic geometry to four equivalent V and four equivalent As atoms. All Co–As bond lengths are 2.50 Å. As is bonded in a distorted body-centered cubic geometry to six equivalent V, four equivalent Fe, and four equivalent Co atoms.
DOI: 10.17188/1695382
title: Materials Data on Ba2UCrO6 by Materials Project

description: Ba2UCrO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent UO6 octahedra, and faces with four equivalent CrO6 octahedra. All Ba–O bond lengths are 2.98 Å. U5+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.16 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one U5+, and one Cr3+ atom.
DOI: 10.17188/1695384
title: Materials Data on Mo6H20Cl14O9 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: 10.17188/1695386
title: Materials Data on Zn(N3O8)2 by Materials Project

description: ZnO8N2(NO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules; eight hydroxylamine, n-hydroxy- molecules; and two ZnO8 clusters. In each ZnO8 cluster, Zn2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Zn–O bond lengths are 1.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.32 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.72 Å) O–O bond length. In the third O2- site, O2- is bonded in a distorted water-like geometry to two O2- atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one O2- atom.
DOI: 10.17188/1695387
title: Materials Data on Ti7(Fe3O8)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: 10.17188/1695388
title: Materials Data on H3S by Materials Project

description: SH3 is High-temperature superconductor structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SH3 clusters. there are two inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S1- atom. The H–S bond length is 1.48 Å. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S1- atom. The H–S bond length is 1.41 Å. S1- is bonded in a distorted T-shaped geometry to three H+0.33+ atoms.
DOI: 10.17188/1695389
title: Materials Data on Pm3Er by Materials Project

description: ErPm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Pm atoms to form ErPm12 cuboctahedra that share corners with four equivalent ErPm12 cuboctahedra, corners with eight equivalent PmPm8Er4 cuboctahedra, edges with eight equivalent ErPm12 cuboctahedra, edges with sixteen equivalent PmPm8Er4 cuboctahedra, faces with four equivalent ErPm12 cuboctahedra, and faces with fourteen PmPm8Er4 cuboctahedra. There are four shorter (3.61 Å) and eight longer (3.63 Å) Er–Pm bond lengths. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Er and eight Pm atoms to form PmPm8Er4 cuboctahedra that share corners with twelve equivalent PmPm8Er4 cuboctahedra, edges with eight equivalent ErPm12 cuboctahedra, edges with sixteen PmPm8Er4 cuboctahedra, faces with four equivalent ErPm12 cuboctahedra, and faces with fourteen PmPm8Er4 cuboctahedra. There are four shorter (3.61 Å) and four longer (3.63 Å) Pm–Pm bond lengths. In the second Pm site, Pm is bonded to four equivalent Er and eight equivalent Pm atoms to form PmPm8Er4 cuboctahedra that share corners with four equivalent PmPm8Er4 cuboctahedra, corners with eight equivalent ErPm12 cuboctahedra, edges with twenty-four PmPm8Er4 cuboctahedra, faces with six equivalent ErPm12 cuboctahedra, and faces with twelve PmPm8Er4 cuboctahedra.
DOI: 10.17188/1695390
title: Materials Data on KTeO7 by Materials Project

description: KTeO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one KTeO7 sheet oriented in the (1, 0, 0) direction. K is bonded in a 3-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.75–3.34 Å. Te is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Te–O bond distances ranging from 1.84–2.08 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.63 Å) O–O bond length. In the second O site, O is bonded in a distorted water-like geometry to one K and one Te atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Te atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the fifth O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Te, and one O atom. In the sixth O site, O is bonded in a single-bond geometry to one O atom. In the seventh O site, O is bonded in a 1-coordinate geometry to two equivalent K and one O atom.
DOI: 10.17188/1695392
title: Materials Data on Nb23Ir3S52 by Materials Project

description: (NbIrS4)3(NbS2)20 is trigonal omega-derived structured and crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of three NbIrS4 sheets oriented in the (0, 0, 1) direction and ten NbS2 sheets oriented in the (0, 0, 1) direction. In each NbIrS4 sheet, Nb+4.09+ is bonded to six S2- atoms to form distorted NbS6 octahedra that share edges with two equivalent NbS6 octahedra and edges with four equivalent IrS6 octahedra. There are a spread of Nb–S bond distances ranging from 2.36–2.64 Å. Ir+3.33+ is bonded to six S2- atoms to form IrS6 octahedra that share edges with two equivalent IrS6 octahedra and edges with four equivalent NbS6 octahedra. There are a spread of Ir–S bond distances ranging from 2.38–2.43 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Nb+4.09+ and one Ir+3.33+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Nb+4.09+ and one Ir+3.33+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one Nb+4.09+ and two equivalent Ir+3.33+ atoms. In the fourth S2- site, S2- is bonded in a distorted T-shaped geometry to one Nb+4.09+ and two equivalent Ir+3.33+ atoms. In each NbS2 sheet, there are two inequivalent Nb+4.09+ sites. In the first Nb+4.09+ site, Nb+4.09+ is bonded to six S2- atoms to form edge-sharing NbS6 octahedra. There are three shorter (2.49 Å) and three longer (2.50 Å) Nb–S bond lengths. In the second Nb+4.09+ site, Nb+4.09+ is bonded to six S2- atoms to form edge-sharing NbS6 octahedra. There are two shorter (2.49 Å) and four longer (2.50 Å) Nb–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three Nb+4.09+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Nb+4.09+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three Nb+4.09+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three Nb+4.09+ atoms.
DOI: 10.17188/1695394
title: Materials Data on CaZn3 by Materials Project

description: CaZn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Zn atoms to form a mixture of face and corner-sharing CaZn12 cuboctahedra. All Ca–Zn bond lengths are 3.07 Å. Zn is bonded in a distorted square co-planar geometry to four equivalent Ca atoms.
DOI: 10.17188/1695395
title: Materials Data on VOF3 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: 10.17188/1695396
title: Materials Data on Na2(CoO2)3 by Materials Project

description: Na2(CoO2)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There are two shorter (2.39 Å) and four longer (2.46 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There are two shorter (2.47 Å) and four longer (2.56 Å) Na–O bond lengths. In the third 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 2.39–2.54 Å. There are two inequivalent Co+3.33+ sites. In the first Co+3.33+ site, Co+3.33+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.80–1.84 Å. In the second Co+3.33+ site, Co+3.33+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. All Co–O bond lengths are 1.84 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two Co+3.33+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two Co+3.33+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Co+3.33+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two equivalent Co+3.33+ atoms.
DOI: 10.17188/1695397
title: Materials Data on TcAs3 by Materials Project

description: TcAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc1+ is bonded in a distorted body-centered cubic geometry to fourteen As+0.33- atoms. There are eight shorter (2.79 Å) and six longer (3.22 Å) Tc–As bond lengths. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a distorted body-centered cubic geometry to four equivalent Tc1+ and four equivalent As+0.33- atoms. All As–As bond lengths are 2.79 Å. In the second As+0.33- site, As+0.33- is bonded in a 8-coordinate geometry to six equivalent Tc1+ and eight equivalent As+0.33- atoms.
DOI: 10.17188/1695399
title: Materials Data on ErNiPb by Materials Project

description: ErNiPb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five equivalent Ni and six equivalent Pb atoms. There are a spread of Er–Ni bond distances ranging from 2.97–3.15 Å. There are a spread of Er–Pb bond distances ranging from 3.21–3.31 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Pb atoms. There are a spread of Ni–Pb bond distances ranging from 2.65–2.89 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ni atoms.