cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1655370
title: Materials Data on MgSb by Materials Project

description: MgSb is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Sb2- atoms to form a mixture of edge and corner-sharing MgSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–Sb bond lengths are 2.99 Å. Sb2- is bonded to six equivalent Mg2+ atoms to form a mixture of edge and corner-sharing SbMg6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1655371
title: Materials Data on ScGePd by Materials Project

description: ScPdGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Pd and five Ge atoms. There are two shorter (2.97 Å) and four longer (3.18 Å) Sc–Pd bond lengths. There are four shorter (2.83 Å) and one longer (2.86 Å) Sc–Ge bond lengths. Pd is bonded in a 12-coordinate geometry to six equivalent Sc, two equivalent Pd, and four Ge atoms. Both Pd–Pd bond lengths are 2.91 Å. There are two shorter (2.59 Å) and two longer (2.60 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Pd atoms. In the second Ge site, Ge is bonded in a distorted q6 geometry to three equivalent Sc and six equivalent Pd atoms.
DOI: 10.17188/1655372
title: Materials Data on Na2(NbS2)3 by Materials Project

description: Na2(NbS2)3 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (2.86 Å) and three longer (2.87 Å) Na–S bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (2.86 Å) and three longer (2.87 Å) Na–S bond lengths. There are three inequivalent Nb+3.33+ sites. In the first Nb+3.33+ site, Nb+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are three shorter (2.49 Å) and three longer (2.51 Å) Nb–S bond lengths. In the second Nb+3.33+ site, Nb+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.51 Å. In the third Nb+3.33+ site, Nb+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are four shorter (2.50 Å) and two longer (2.51 Å) Nb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two Na1+ and three equivalent Nb+3.33+ atoms to form a mixture of edge, corner, and face-sharing SNa2Nb3 square pyramids. In the second S2- site, S2- is bonded to two Na1+ and three Nb+3.33+ atoms to form a mixture of distorted edge, corner, and face-sharing SNa2Nb3 trigonal bipyramids.
DOI: 10.17188/1655373
title: Materials Data on Ba2Cd(BO2)6 by Materials Project

description: Ba2Cd(BO2)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.83–3.00 Å. Cd2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Cd–O bond lengths are 2.37 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Cd2+, and one B3+ atom.
DOI: 10.17188/1655375
title: Materials Data on Cu3(CO4)2 by Materials Project

description: Cu3(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cu+2.67+ sites. In the first Cu+2.67+ site, Cu+2.67+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.92 Å) Cu–O bond length. In the second Cu+2.67+ site, Cu+2.67+ is bonded to five O2- atoms to form distorted edge-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.87–2.52 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Cu+2.67+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu+2.67+ and one C4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cu+2.67+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu+2.67+ and one C4+ atom.
DOI: 10.17188/1655376
title: Materials Data on MgAu4Se4(ClO3)4 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: 10.17188/1655377
title: Materials Data on Sr2Cu(BrO)2 by Materials Project

description: Sr2CuO2Br2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing SrBr2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.47 Å. Both Sr–Br bond lengths are 3.29 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Cu–Br bond lengths are 2.47 Å. O2- is bonded in a square co-planar geometry to four equivalent Sr2+ atoms. Br1- is bonded in a square co-planar geometry to two equivalent Sr2+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1655378
title: Materials Data on Dy(InCu)6 by Materials Project

description: DyCu6In6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to twelve Cu and eight In atoms. There are four shorter (3.52 Å) and eight longer (3.53 Å) Dy–Cu bond lengths. There are a spread of Dy–In bond distances ranging from 3.07–3.27 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Dy, four Cu, and six In atoms to form a mixture of distorted edge, face, and corner-sharing CuDy2In6Cu4 cuboctahedra. There are two shorter (2.69 Å) and two longer (2.79 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.74–2.81 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.74–2.93 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to one Dy, six Cu, and one In atom. The In–In bond length is 3.01 Å. In the second In site, In is bonded in a 10-coordinate geometry to one Dy and six Cu atoms. In the third In site, In is bonded in a 12-coordinate geometry to two equivalent Dy and six Cu atoms.
DOI: 10.17188/1655379
title: Materials Data on LiFe2(BO3)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: 10.17188/1655380
title: Materials Data on MgHg3 by Materials Project

description: MgHg3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Hg atoms to form a mixture of edge, face, and corner-sharing MgHg12 cuboctahedra. There are four shorter (3.13 Å) and eight longer (3.31 Å) Mg–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a square co-planar geometry to four equivalent Mg and eight equivalent Hg atoms. All Hg–Hg bond lengths are 3.31 Å. In the second Hg site, Hg is bonded in a 12-coordinate geometry to four equivalent Mg and eight Hg atoms. All Hg–Hg bond lengths are 3.13 Å.
DOI: 10.17188/1655381
title: Materials Data on Nb6TlSe8 by Materials Project

description: Nb6TlSe8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Nb+2.50+ is bonded to six Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NbSe6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Nb–Se bond distances ranging from 2.61–2.85 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. All Tl–Se bond lengths are 3.34 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing SeNb6 pentagonal pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Nb+2.50+ and one Tl1+ atom.
DOI: 10.17188/1655382
title: Materials Data on MgMnB2O5 by Materials Project

description: MgMnB2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.06–2.19 Å. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share edges with two equivalent MgO6 octahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.09–2.39 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.44 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, two equivalent Mn2+, and one B3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Mg2+, one Mn2+, and one B3+ atom to form distorted corner-sharing OMg2MnB tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two B3+ atoms.
DOI: 10.17188/1655383
title: Materials Data on CsCdN 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: 10.17188/1655384
title: Materials Data on AgPt by Materials Project

description: PtAg crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pt2- is bonded to six equivalent Pt2- and six equivalent Ag2+ atoms to form PtAg6Pt6 cuboctahedra that share corners with eighteen equivalent PtAg6Pt6 cuboctahedra, edges with six equivalent PtAg6Pt6 cuboctahedra, edges with twelve equivalent AgAg6Pt6 cuboctahedra, faces with eight equivalent PtAg6Pt6 cuboctahedra, and faces with twelve equivalent AgAg6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.83 Å. All Pt–Ag bond lengths are 2.90 Å. Ag2+ is bonded to six equivalent Pt2- and six equivalent Ag2+ atoms to form distorted AgAg6Pt6 cuboctahedra that share corners with eighteen equivalent AgAg6Pt6 cuboctahedra, edges with six equivalent AgAg6Pt6 cuboctahedra, edges with twelve equivalent PtAg6Pt6 cuboctahedra, faces with eight equivalent AgAg6Pt6 cuboctahedra, and faces with twelve equivalent PtAg6Pt6 cuboctahedra. All Ag–Ag bond lengths are 2.83 Å.
DOI: 10.17188/1655385
title: Materials Data on Ca3Sc2N4 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: 10.17188/1655386
title: Materials Data on Cs2TiV3(PO6)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: 10.17188/1655387
title: Materials Data on Li3V6Fe4(CuO12)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: 10.17188/1655388
title: Materials Data on Sm2Cr3O19 by Materials Project

description: Sm2Cr3O17O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four oxygen molecules and one Sm2Cr3O17 framework. In the Sm2Cr3O17 framework, there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.78 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sm–O bond distances ranging from 2.35–2.58 Å. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.69 Å. In the second Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.65 Å) and two longer (1.68 Å) Cr–O bond length. In the third Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.60–1.71 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.29 Å) and one longer (1.31 Å) O–O bond length. In the second O site, O is bonded in a single-bond geometry to one Cr atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Cr atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Sm and one Cr atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Sm and one Cr atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cr atom. In the seventh O site, O is bonded in a single-bond geometry to one Sm atom. In the eighth O site, O is bonded in a water-like geometry to one Sm and one O atom. In the ninth O site, O is bonded in a distorted water-like geometry to one Sm and one Cr atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cr atom. In the eleventh O site, O is bonded in a water-like geometry to one Sm and one O atom. In the twelfth O site, O is bonded in a single-bond geometry to one Sm atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one Sm and one Cr atom. In the fourteenth O site, O is bonded in a 2-coordinate geometry to one Sm and one Cr atom. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cr atom. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cr atom. In the seventeenth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cr atom.
DOI: 10.17188/1655389
title: Materials Data on Mg6TiFe by Materials Project

description: Mg6TiFe crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Ti, and two equivalent Fe atoms. There are a spread of Mg–Mg bond distances ranging from 2.93–3.16 Å. Both Mg–Ti bond lengths are 3.04 Å. There are one shorter (2.85 Å) and one longer (3.43 Å) Mg–Fe bond lengths. In the second Mg site, Mg is bonded to ten Mg and two equivalent Fe atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with six equivalent MgMg10Fe2 cuboctahedra, edges with twelve MgMg8Ti2Fe2 cuboctahedra, faces with six equivalent TiMg10Fe2 cuboctahedra, and faces with eight MgMg10Fe2 cuboctahedra. There are two shorter (3.00 Å) and four longer (3.03 Å) Mg–Mg bond lengths. Both Mg–Fe bond lengths are 3.06 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent Ti, and two equivalent Fe atoms to form distorted MgMg8Ti2Fe2 cuboctahedra that share corners with four equivalent TiMg10Fe2 cuboctahedra, corners with fourteen MgMg8Ti2Fe2 cuboctahedra, edges with two equivalent TiMg10Fe2 cuboctahedra, edges with eight MgMg10Fe2 cuboctahedra, faces with two equivalent TiMg10Fe2 cuboctahedra, and faces with eight MgMg10Fe2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.92–3.21 Å. There are one shorter (2.93 Å) and one longer (3.35 Å) Mg–Ti bond lengths. Both Mg–Fe bond lengths are 3.07 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Ti atoms to form distorted MgMg10Ti2 cuboctahedra that share corners with four equivalent TiMg10Fe2 cuboctahedra, corners with fourteen MgMg8Ti2Fe2 cuboctahedra, edges with two equivalent TiMg10Fe2 cuboctahedra, edges with eight MgMg10Fe2 cuboctahedra, faces with two equivalent TiMg10Fe2 cuboctahedra, and faces with eight MgMg10Fe2 cuboctahedra. Both Mg–Ti bond lengths are 3.05 Å. Ti is bonded to ten Mg and two equivalent Fe atoms to form distorted TiMg10Fe2 cuboctahedra that share corners with six equivalent TiMg10Fe2 cuboctahedra, corners with twelve MgMg8Ti2Fe2 cuboctahedra, edges with six MgMg8Ti2Fe2 cuboctahedra, faces with two equivalent TiMg10Fe2 cuboctahedra, and faces with twelve MgMg10Fe2 cuboctahedra. Both Ti–Fe bond lengths are 2.71 Å. Fe is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ti atoms.
DOI: 10.17188/1655391
title: Materials Data on EuHfF7 by Materials Project

description: EuHfF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Eu–F bond distances ranging from 2.24–2.43 Å. Hf4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Hf–F bond distances ranging from 2.00–2.02 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Eu3+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Eu3+ and one Hf4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Eu3+ and one Hf4+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one Hf4+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Eu3+ and one Hf4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one Hf4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Eu3+ and one Hf4+ atom.
DOI: 10.17188/1655392
title: Materials Data on Li3Mn4(BO3)4 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: 10.17188/1655393
title: Materials Data on NaZnAs(H2O3)2 by Materials Project

description: NaZnAs(H2O3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 10-coordinate geometry to four H1+ and six O2- atoms. There are two shorter (2.34 Å) and two longer (2.36 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.33–2.39 Å. In the second Na1+ site, Na1+ is bonded in a 10-coordinate geometry to four H1+ and six O2- atoms. There are two shorter (2.23 Å) and two longer (2.28 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.30–2.75 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.08 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.70–1.78 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two Na1+ and 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 1.00 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 (1.73 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two Na1+ and one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zn2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Zn2+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Zn2+, one As5+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to two Na1+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms.
DOI: 10.17188/1655394
title: Materials Data on MgVRu2 by Materials Project

description: MgVRu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgVRu2 ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Ru atoms. Both Mg–Ru bond lengths are 2.72 Å. V is bonded in a linear geometry to two equivalent Ru atoms. Both V–Ru bond lengths are 2.04 Å. Ru is bonded in a linear geometry to one Mg and one V atom.