cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1280600
title: Materials Data on Cs2Tb6Te7N2 by Materials Project

description: Cs2Tb6N2Te7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.84–4.35 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.88–4.37 Å. There are six inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Tb–N bond length is 2.18 Å. There are a spread of Tb–Te bond distances ranging from 3.05–3.29 Å. In the second Tb3+ site, Tb3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Tb–N bond length is 2.18 Å. There are a spread of Tb–Te bond distances ranging from 3.05–3.26 Å. In the third Tb3+ site, Tb3+ is bonded in a distorted bent 120 degrees geometry to two equivalent N3- and four Te2- atoms. There are one shorter (2.41 Å) and one longer (2.42 Å) Tb–N bond lengths. There are a spread of Tb–Te bond distances ranging from 3.15–3.20 Å. In the fourth Tb3+ site, Tb3+ is bonded in a distorted bent 120 degrees geometry to two equivalent N3- and four Te2- atoms. There are one shorter (2.40 Å) and one longer (2.42 Å) Tb–N bond lengths. There are a spread of Tb–Te bond distances ranging from 3.18–3.20 Å. In the fifth Tb3+ site, Tb3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Tb–N bond length is 2.18 Å. There are a spread of Tb–Te bond distances ranging from 3.06–3.24 Å. In the sixth Tb3+ site, Tb3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Tb–N bond length is 2.18 Å. There are a spread of Tb–Te bond distances ranging from 3.06–3.23 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Tb3+ and one Te2- atom to form corner-sharing NTb4Te tetrahedra. The N–Te bond length is 3.56 Å. In the second N3- site, N3- is bonded to four Tb3+ and one Te2- atom to form corner-sharing NTb4Te tetrahedra. The N–Te bond length is 3.55 Å. There are seven inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four Tb3+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four Tb3+ atoms. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to two Cs1+, four Tb3+, and two N3- atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to one Cs1+ and five Tb3+ atoms. In the fifth Te2- site, Te2- is bonded in a 7-coordinate geometry to four Cs1+ and three Tb3+ atoms. In the sixth Te2- site, Te2- is bonded in a 7-coordinate geometry to four Cs1+ and three Tb3+ atoms. In the seventh Te2- site, Te2- is bonded in a 5-coordinate geometry to one Cs1+ and five Tb3+ atoms.
DOI: 10.17188/1280601
title: Materials Data on Gd10S19 by Materials Project

description: Gd10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.79–3.04 Å. In the second Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.83–2.94 Å. In the third Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.83–3.10 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Gd3+ and one S+1.58- atom. The S–S bond length is 2.15 Å. In the second S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent Gd3+ atoms. In the third S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the fifth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Gd3+ and one S+1.58- atom. In the sixth S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids.
DOI: 10.17188/1280602
title: Materials Data on In7Cu10 by Materials Project

description: Cu10In7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are seven inequivalent Cu sites. In the first Cu site, Cu is bonded in a 11-coordinate geometry to seven Cu and four In atoms. There are a spread of Cu–Cu bond distances ranging from 2.55–2.72 Å. There are three shorter (2.73 Å) and one longer (2.76 Å) Cu–In bond lengths. In the second Cu site, Cu is bonded to six Cu and six In atoms to form corner-sharing CuIn6Cu6 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.57–2.78 Å. There are a spread of Cu–In bond distances ranging from 2.90–3.04 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to four Cu and six In atoms. There are two shorter (2.75 Å) and two longer (2.76 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.68–2.70 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to six Cu and five In atoms. There are one shorter (2.66 Å) and two longer (2.77 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.63–2.86 Å. In the fifth Cu site, Cu is bonded in a 11-coordinate geometry to five Cu and six In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.78 Å. There are a spread of Cu–In bond distances ranging from 2.64–3.11 Å. In the sixth Cu site, Cu is bonded in a 11-coordinate geometry to five Cu and six In atoms. The Cu–Cu bond length is 2.67 Å. There are a spread of Cu–In bond distances ranging from 2.66–3.02 Å. In the seventh Cu site, Cu is bonded in a 11-coordinate geometry to five Cu and six In atoms. The Cu–Cu bond length is 2.70 Å. There are a spread of Cu–In bond distances ranging from 2.71–2.85 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to seven Cu and one In atom. The In–In bond length is 3.10 Å. In the second In site, In is bonded in a 8-coordinate geometry to eight Cu atoms. In the third In site, In is bonded in a 9-coordinate geometry to eight Cu and one In atom. In the fourth In site, In is bonded in a 11-coordinate geometry to ten Cu and one In atom. The In–In bond length is 3.10 Å. In the fifth In site, In is bonded in a 8-coordinate geometry to eight Cu and one In atom.
DOI: 10.17188/1280603
title: Materials Data on C13Cl3 by Materials Project

description: (C)10(CCl)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of thirty-six chloromethane molecules, six ethyne molecules, and one hundred and eight methane molecules.
DOI: 10.17188/1280604
title: Materials Data on Li(YbGe)4 by Materials Project

description: Yb4LiGe4 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a T-shaped geometry to three Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.77–2.94 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.97–3.10 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.08–3.50 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, six Yb, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to seven Yb and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Li, six Yb, and one Ge atom.
DOI: 10.17188/1280605
title: Materials Data on Al3Bi5Cl12 (SG:167) 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: 10.17188/1280606
title: Materials Data on Y14(InRh)3 by Materials Project

description: Y14Rh3In3 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are seven inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Rh and three In atoms. There are one shorter (2.78 Å) and two longer (2.89 Å) Y–Rh bond lengths. There are one shorter (3.11 Å) and two longer (3.48 Å) Y–In bond lengths. In the second Y site, Y is bonded in a distorted L-shaped geometry to two Rh and two In atoms. Both Y–Rh bond lengths are 2.86 Å. There are one shorter (3.51 Å) and one longer (3.58 Å) Y–In bond lengths. In the third Y site, Y is bonded in a distorted single-bond geometry to one Rh and three In atoms. The Y–Rh bond length is 2.73 Å. There are one shorter (3.29 Å) and two longer (3.58 Å) Y–In bond lengths. In the fourth Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Rh and two equivalent In atoms. Both Y–Rh bond lengths are 2.80 Å. Both Y–In bond lengths are 3.64 Å. In the fifth Y site, Y is bonded in a distorted linear geometry to two equivalent In atoms. Both Y–In bond lengths are 3.30 Å. In the sixth Y site, Y is bonded in a distorted T-shaped geometry to one Rh and two In atoms. The Y–Rh bond length is 3.41 Å. There are one shorter (3.13 Å) and one longer (3.37 Å) Y–In bond lengths. In the seventh Y site, Y is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent In atoms. Both Y–Rh bond lengths are 3.47 Å. Both Y–In bond lengths are 3.41 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to eight Y atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to eight Y and one In atom. The Rh–In bond length is 3.14 Å. There are two inequivalent In sites. In the first In site, In is bonded to eleven Y and one In atom to form a mixture of corner and face-sharing InY11In cuboctahedra. The In–In bond length is 3.12 Å. In the second In site, In is bonded to ten Y and two equivalent Rh atoms to form a mixture of distorted corner and face-sharing InY10Rh2 cuboctahedra.
DOI: 10.17188/1280607
title: Materials Data on Na3MgC2BrO6 by Materials Project

description: Na3MgC2O6Br crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.48 Å) and four longer (2.66 Å) Na–O bond lengths. Both Na–Br bond lengths are 3.04 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.07 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Na1+, one Mg2+, and one C4+ atom. Br1- is bonded in a 6-coordinate geometry to six equivalent Na1+ atoms.
DOI: 10.17188/1280608
title: Materials Data on C20Cl3 by Materials Project

description: (C)17(CCl)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of forty-eight chloromethane molecules and two hundred and seventy-two methane molecules.
DOI: 10.17188/1280609
title: Materials Data on Y5Mg8Cu5 by Materials Project

description: Y5Cu5Mg8 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Y and four Cu atoms. Both Mg–Y bond lengths are 3.33 Å. There are a spread of Mg–Cu bond distances ranging from 2.74–2.87 Å. In the second Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Cu atoms. Both Mg–Cu bond lengths are 2.72 Å. In the third Mg site, Mg is bonded in a distorted L-shaped geometry to two Cu atoms. There are one shorter (2.86 Å) and one longer (2.93 Å) Mg–Cu bond lengths. In the fourth Mg site, Mg is bonded to two equivalent Y and four Cu atoms to form distorted edge-sharing MgY2Cu4 tetrahedra. Both Mg–Y bond lengths are 3.20 Å. There are two shorter (2.68 Å) and two longer (2.82 Å) Mg–Cu bond lengths. In the fifth Mg site, Mg is bonded in a linear geometry to two equivalent Cu atoms. Both Mg–Cu bond lengths are 2.73 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 5-coordinate geometry to five Cu atoms. There are a spread of Y–Cu bond distances ranging from 2.96–3.03 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to six Mg and five Cu atoms. There are four shorter (3.07 Å) and one longer (3.11 Å) Y–Cu bond lengths. In the third Y site, Y is bonded in a 4-coordinate geometry to four Cu atoms. There are two shorter (2.97 Å) and two longer (2.98 Å) Y–Cu bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six Mg and three Y atoms. In the second Cu site, Cu is bonded in a 9-coordinate geometry to five Mg and four Y atoms. In the third Cu site, Cu is bonded in a 9-coordinate geometry to three Mg and six Y atoms.
DOI: 10.17188/1280610
title: Materials Data on RbEuAsS3 by Materials Project

description: RbEuAsS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.42–3.73 Å. Eu2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Eu–S bond distances ranging from 2.95–3.26 Å. As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.31 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to one Rb1+, four equivalent Eu2+, and one As3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent Eu2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Eu2+, and one As3+ atom.
DOI: 10.17188/1280612
title: Materials Data on NaCrF6 by Materials Project

description: NaCrF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to seven F1- atoms to form distorted NaF7 pentagonal bipyramids that share corners with five equivalent CrF6 octahedra, an edgeedge with one CrF6 octahedra, and edges with two equivalent NaF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 20–39°. There are a spread of Na–F bond distances ranging from 2.34–2.55 Å. Cr5+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with five equivalent NaF7 pentagonal bipyramids and an edgeedge with one NaF7 pentagonal bipyramid. There are a spread of Cr–F bond distances ranging from 1.75–1.84 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Cr5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Cr5+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Cr5+ atom.
DOI: 10.17188/1280613
title: Materials Data on VAg(PS3)2 by Materials Project

description: AgVP2S6 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one AgVP2S6 sheet oriented in the (0, 0, 1) direction. V3+ is bonded to six S2- atoms to form VS6 octahedra that share an edgeedge with one AgS6 octahedra and edges with two equivalent VS6 octahedra. There are a spread of V–S bond distances ranging from 2.42–2.49 Å. Ag1+ is bonded to six S2- atoms to form distorted AgS6 octahedra that share an edgeedge with one VS6 octahedra and edges with two equivalent AgS6 octahedra. There are a spread of Ag–S bond distances ranging from 2.74–2.89 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.97–2.13 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent V3+ and one P4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one P4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one V3+, one Ag1+, and one P4+ atom.
DOI: 10.17188/1280617
title: Materials Data on Hg4Pb2N6O19 by Materials Project

description: Hg4O(Pb(NO3)3)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight Hg4O clusters and one Pb(NO3)3 framework. In each Hg4O cluster, Hg2+ is bonded in a single-bond geometry to one O2- atom. The Hg–O bond length is 2.17 Å. O2- is bonded in a tetrahedral geometry to four equivalent Hg2+ atoms. In the Pb(NO3)3 framework, Pb4+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Pb–O bond lengths are 2.86 Å. N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb4+ and one N+3.67+ atom.
DOI: 10.17188/1280618
title: Materials Data on Li2FeSiO4 (SG:14) 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: 10.17188/1280619
title: Materials Data on Lu5(In2Ni)2 by Materials Project

description: Lu5Ni2In4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Lu–Ni bond lengths are 2.70 Å. There are a spread of Lu–In bond distances ranging from 3.11–3.35 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. There are two shorter (2.85 Å) and two longer (2.88 Å) Lu–Ni bond lengths. There are a spread of Lu–In bond distances ranging from 3.19–3.31 Å. In the third Lu site, Lu is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.15 Å) and four longer (3.27 Å) Lu–In bond lengths. Ni is bonded in a 9-coordinate geometry to six Lu and three In atoms. There are a spread of Ni–In bond distances ranging from 2.79–3.25 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. In the second In site, In is bonded in a 9-coordinate geometry to eight Lu and two equivalent Ni atoms.
DOI: 10.17188/1280620
title: Materials Data on Tb2EuSe4 by Materials Project

description: EuTb2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Tb–Se bond distances ranging from 2.84–2.90 Å. In the second Tb3+ site, Tb3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Tb–Se bond distances ranging from 2.82–2.91 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.18–3.46 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tb3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Tb3+ and two equivalent Eu2+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tb3+ and two equivalent Eu2+ atoms. In the fourth Se2- site, Se2- is bonded to three equivalent Tb3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeTb3Eu2 square pyramids.
DOI: 10.17188/1280621
title: Materials Data on CoBC8(OF2)5 (SG:14) 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: 10.17188/1280622
title: Materials Data on Dy3Co (SG:62) 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: 10.17188/1280623
title: Materials Data on Sm2(MoO4)3 (SG:15) 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: 10.17188/1280624
title: Materials Data on Gd(NiGe)2 by Materials Project

description: GdNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Gd–Ni bond lengths are 3.21 Å. All Gd–Ge bond lengths are 3.16 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.37 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.55 Å.
DOI: 10.17188/1280625
title: Materials Data on SrCo12O19 (SG:194) 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: 10.17188/1280626
title: Materials Data on Nd2InRh2 by Materials Project

description: Nd2Rh2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Rh and four equivalent In atoms. There are two shorter (2.91 Å) and four longer (3.07 Å) Nd–Rh bond lengths. All Nd–In bond lengths are 3.45 Å. Rh is bonded in a 9-coordinate geometry to six equivalent Nd, one Rh, and two equivalent In atoms. The Rh–Rh bond length is 2.79 Å. Both Rh–In bond lengths are 2.97 Å. In is bonded to eight equivalent Nd and four equivalent Rh atoms to form a mixture of face and corner-sharing InNd8Rh4 cuboctahedra.