cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1696299
title: Materials Data on GdO3 by Materials Project

description: GdO3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Gd is bonded in a 9-coordinate geometry to nine equivalent O atoms. There are three shorter (2.36 Å) and six longer (2.37 Å) Gd–O bond lengths. O is bonded in a trigonal non-coplanar geometry to three equivalent Gd atoms.
DOI: 10.17188/1696300
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: 10.17188/1696301
title: Materials Data on LiTiFeO4 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: 10.17188/1696302
title: Materials Data on Pd3(PbSe)2 by Materials Project

description: Pd3(PbSe)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a distorted linear geometry to four Pb and two equivalent Se atoms. There are two shorter (3.03 Å) and two longer (3.04 Å) Pd–Pb bond lengths. Both Pd–Se bond lengths are 2.48 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Pd and two equivalent Se atoms to form corner-sharing PbPd6Se2 hexagonal bipyramids. Both Pb–Se bond lengths are 3.18 Å. In the second Pb site, Pb is bonded in a hexagonal planar geometry to six equivalent Pd atoms. Se is bonded in a 4-coordinate geometry to three equivalent Pd and one Pb atom.
DOI: 10.17188/1696303
title: Materials Data on Eu2Zn3Ge by Materials Project

description: Eu2Zn3Ge crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to eight Zn and four equivalent Ge atoms. There are a spread of Eu–Zn bond distances ranging from 3.16–3.39 Å. There are two shorter (3.14 Å) and two longer (3.35 Å) Eu–Ge bond lengths. In the second Eu site, Eu is bonded in a 12-coordinate geometry to ten Zn and two equivalent Ge atoms. There are a spread of Eu–Zn bond distances ranging from 3.11–3.38 Å. There are one shorter (3.26 Å) and one longer (3.30 Å) Eu–Ge bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to six Eu, two equivalent Zn, and two equivalent Ge atoms. There are one shorter (2.66 Å) and one longer (2.87 Å) Zn–Zn bond lengths. Both Zn–Ge bond lengths are 2.67 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to six Eu and four Zn atoms. Both Zn–Zn bond lengths are 2.63 Å. In the third Zn site, Zn is bonded in a 2-coordinate geometry to six Eu, two equivalent Zn, and two equivalent Ge atoms. There are one shorter (2.69 Å) and one longer (2.84 Å) Zn–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six Eu and four Zn atoms.
DOI: 10.17188/1696304
title: Materials Data on K3DyF6 by Materials Project

description: K3DyF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All K–F bond lengths are 2.69 Å. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent F1- atoms. Both K–F bond lengths are 2.40 Å. Dy3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.18 Å) and two longer (2.19 Å) Dy–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Dy3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one K1+ and one Dy3+ atom.
DOI: 10.17188/1696305
title: Materials Data on V2Pb3O8 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: 10.17188/1696306
title: Materials Data on V2O3F 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: 10.17188/1696307
title: Materials Data on SrCo2Te3(ClO4)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: 10.17188/1696308
title: Materials Data on CeTiGe3 by Materials Project

description: CeTiGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Ge atoms to form distorted CeGe12 cuboctahedra that share corners with six equivalent CeGe12 cuboctahedra, corners with six equivalent TiGe6 octahedra, faces with eight equivalent CeGe12 cuboctahedra, and faces with six equivalent TiGe6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are six shorter (3.16 Å) and six longer (3.26 Å) Ce–Ge bond lengths. Ti is bonded to six equivalent Ge atoms to form TiGe6 octahedra that share corners with six equivalent CeGe12 cuboctahedra, faces with six equivalent CeGe12 cuboctahedra, and faces with two equivalent TiGe6 octahedra. All Ti–Ge bond lengths are 2.60 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Ce, two equivalent Ti, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å.
DOI: 10.17188/1696309
title: Materials Data on Na2AgAsCl6 by Materials Project

description: (Na)2AgAsCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one AgAsCl6 framework. In the AgAsCl6 framework, Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent AsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.66 Å. As3+ is bonded to six equivalent Cl1- atoms to form AsCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Cl bond lengths are 2.50 Å. Cl1- is bonded in a linear geometry to one Ag1+ and one As3+ atom.
DOI: 10.17188/1696310
title: Materials Data on V4Ru by Materials Project

description: V4Ru crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 2-coordinate geometry to two equivalent V and two equivalent Ru atoms. Both V–V bond lengths are 2.53 Å. Both V–Ru bond lengths are 2.55 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to eight V atoms. There are two shorter (2.54 Å) and four longer (2.66 Å) V–V bond lengths. Ru is bonded in a 4-coordinate geometry to four equivalent V atoms.
DOI: 10.17188/1696311
title: Materials Data on KVH2SeO7 by Materials Project

description: KVH2SeO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.12 Å. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.27 Å. There are two 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 0.98 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. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.65–1.71 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one V5+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one V5+, and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one V5+, and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one V5+, and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one V5+ atom.
DOI: 10.17188/1696312
title: Materials Data on Nb6InTe8 by Materials Project

description: Nb6InTe8 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Nb+2.50+ sites. In the first Nb+2.50+ site, Nb+2.50+ is bonded to six Te2- atoms to form a mixture of distorted edge, corner, and face-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of Nb–Te bond distances ranging from 2.80–3.02 Å. In the second Nb+2.50+ site, Nb+2.50+ is bonded to six Te2- atoms to form a mixture of distorted edge, corner, and face-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of Nb–Te bond distances ranging from 2.79–3.05 Å. In1+ is bonded in a trigonal planar geometry to three equivalent Te2- atoms. All In–Te bond lengths are 3.37 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids. In the second Te2- site, Te2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to four Nb+2.50+ and one In1+ atom. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to four Nb+2.50+ atoms.
DOI: 10.17188/1696313
title: Materials Data on LiCr(PO3)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: 10.17188/1696315
title: Materials Data on TbSiNi4 by Materials Project

description: TbNi4Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Si atoms. There are a spread of Tb–Ni bond distances ranging from 2.80–3.11 Å. All Tb–Si bond lengths are 3.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, five Ni, and two equivalent Si atoms. There are four shorter (2.47 Å) and one longer (2.58 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.36 Å. In the second Ni site, Ni is bonded to four equivalent Tb, six Ni, and two equivalent Si atoms to form NiTb4Si2Ni6 cuboctahedra that share corners with four equivalent SiTb4Ni8 cuboctahedra, corners with twelve equivalent NiTb4Si2Ni6 cuboctahedra, edges with four equivalent SiTb4Ni8 cuboctahedra, edges with six equivalent NiTb4Si2Ni6 cuboctahedra, faces with four equivalent SiTb4Ni8 cuboctahedra, and faces with six equivalent NiTb4Si2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.54 Å. Both Ni–Si bond lengths are 2.41 Å. Si is bonded to four equivalent Tb and eight Ni atoms to form distorted SiTb4Ni8 cuboctahedra that share corners with eight equivalent NiTb4Si2Ni6 cuboctahedra, corners with eight equivalent SiTb4Ni8 cuboctahedra, edges with two equivalent SiTb4Ni8 cuboctahedra, edges with eight equivalent NiTb4Si2Ni6 cuboctahedra, faces with two equivalent SiTb4Ni8 cuboctahedra, and faces with eight equivalent NiTb4Si2Ni6 cuboctahedra.
DOI: 10.17188/1696316
title: Materials Data on CdRe2(NO2)4 by Materials Project

description: Cd(ReO4)2(N2)2 is Iron carbide-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of sixteen ammonia molecules, four cadmium molecules, and eight rhenium;tetrahydrate molecules.
DOI: 10.17188/1696318
title: Materials Data on Li2FeSiO4 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: 10.17188/1696319
title: Materials Data on Li2FePCO7 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: 10.17188/1696321
title: Materials Data on K2MgH12(SeO7)2 by Materials Project

description: K2MgH12(SeO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.07 Å. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.13 Å. There are six 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 1.00 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 two O2- atoms. There is one shorter (1.00 Å) and one longer (1.68 Å) H–O bond length. In the fourth 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 fifth 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 sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.67 Å) and three longer (1.68 Å) Se–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one H1+, and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one H1+, and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Mg2+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Mg2+ and two H1+ atoms.
DOI: 10.17188/1696322
title: Materials Data on Rb5(DyI4)3 by Materials Project

description: Rb5(DyI4)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to six equivalent I atoms to form distorted RbI6 pentagonal pyramids that share corners with six equivalent DyI6 octahedra and faces with two equivalent RbI6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 69°. All Rb–I bond lengths are 3.76 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of Rb–I bond distances ranging from 3.68–3.93 Å. Dy is bonded to six I atoms to form DyI6 octahedra that share corners with four equivalent RbI6 pentagonal pyramids and edges with two equivalent DyI6 octahedra. There are a spread of Dy–I bond distances ranging from 3.09–3.13 Å. There are three inequivalent I sites. In the first I site, I is bonded to two equivalent Rb and two equivalent Dy atoms to form distorted corner-sharing IRb2Dy2 trigonal pyramids. In the second I site, I is bonded in a 3-coordinate geometry to one Rb and two equivalent Dy atoms. In the third I site, I is bonded in a 5-coordinate geometry to four Rb and one Dy atom.
DOI: 10.17188/1696323
title: Materials Data on Na5Fe3F14 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: 10.17188/1696324
title: Materials Data on YScN2 by Materials Project

description: YScN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent N3- atoms to form YN6 octahedra that share corners with six equivalent ScN6 octahedra, edges with six equivalent YN6 octahedra, and edges with six equivalent ScN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Y–N bond lengths are 2.41 Å. Sc3+ is bonded to six equivalent N3- atoms to form ScN6 octahedra that share corners with six equivalent YN6 octahedra, edges with six equivalent YN6 octahedra, and edges with six equivalent ScN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sc–N bond lengths are 2.32 Å. N3- is bonded to three equivalent Y3+ and three equivalent Sc3+ atoms to form a mixture of edge and corner-sharing NY3Sc3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1696325
title: Materials Data on VPb2N3 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: 10.17188/1696326
title: Materials Data on Ca8Ti3Mn5O24 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: 10.17188/1696328
title: Materials Data on K2LiCeI6 by Materials Project

description: K2LiCeI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent I1- atoms to form KI12 cuboctahedra that share corners with twelve equivalent KI12 cuboctahedra, faces with six equivalent KI12 cuboctahedra, faces with four equivalent LiI6 octahedra, and faces with four equivalent CeI6 octahedra. All K–I bond lengths are 4.29 Å. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent CeI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–I bond lengths are 2.95 Å. Ce3+ is bonded to six equivalent I1- atoms to form CeI6 octahedra that share corners with six equivalent LiI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–I bond lengths are 3.11 Å. I1- is bonded in a linear geometry to four equivalent K1+, one Li1+, and one Ce3+ atom.
DOI: 10.17188/1696329
title: Materials Data on K2Pt(C2O5)2 by Materials Project

description: K2Pt(C2O5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.05 Å. Pt2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.01 Å) Pt–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Pt2+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt2+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the fifth O2- site, O2- is bonded in an L-shaped geometry to two equivalent K1+ atoms.
DOI: 10.17188/1696330
title: Materials Data on Nb4Fe3Si5 by Materials Project

description: Nb4Fe3Si5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb+2.75+ sites. In the first Nb+2.75+ site, Nb+2.75+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Nb–Si bond distances ranging from 2.77–2.85 Å. In the second Nb+2.75+ site, Nb+2.75+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Nb–Si bond distances ranging from 2.81–2.83 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.35–2.42 Å. In the second Fe3+ site, Fe3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.41 Å) and two longer (2.49 Å) Fe–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to six Nb+2.75+, four Fe3+, and two equivalent Si4- atoms to form SiNb6Fe4Si2 cuboctahedra that share corners with fourteen SiNb6Fe4Si2 cuboctahedra, edges with six SiNb6Fe2Si4 cuboctahedra, and faces with eight SiNb6Fe2Si4 cuboctahedra. There are one shorter (2.46 Å) and one longer (2.49 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded to six Nb+2.75+, two equivalent Fe3+, and four equivalent Si4- atoms to form a mixture of edge, face, and corner-sharing SiNb6Fe2Si4 cuboctahedra. There are two shorter (2.42 Å) and two longer (2.48 Å) Si–Si bond lengths. In the third Si4- site, Si4- is bonded to six Nb+2.75+, two equivalent Fe3+, and four Si4- atoms to form SiNb6Fe2Si4 cuboctahedra that share corners with ten SiNb6Fe2Si4 cuboctahedra, edges with six SiNb6Fe4Si2 cuboctahedra, and faces with ten SiNb6Fe2Si4 cuboctahedra. There are one shorter (2.46 Å) and one longer (2.49 Å) Si–Si bond lengths.
DOI: 10.17188/1696331
title: Materials Data on Er(Co2Ge)2 by Materials Project

description: Er(Co2Ge)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Er is bonded to six equivalent Ge atoms to form a mixture of distorted edge and corner-sharing ErGe6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are two shorter (2.84 Å) and four longer (2.92 Å) Er–Ge bond lengths. Co is bonded in a 3-coordinate geometry to three equivalent Ge atoms. All Co–Ge bond lengths are 2.39 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Co atoms.