cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1651538
title: Materials Data on KY(CO3)4 by Materials Project

description: KY(CO3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.58 Å) and four longer (3.32 Å) K–O bond lengths. Y is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.37 Å) and four longer (2.38 Å) Y–O bond lengths. C is bonded in a distorted bent 120 degrees geometry to two O atoms. Both C–O bond lengths are 1.26 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom. In the second O site, O is bonded in a single-bond geometry to one K atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one K, one Y, and one C atom.
DOI: 10.17188/1651539
title: Materials Data on Li3Mn3(OF)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: 10.17188/1651540
title: Materials Data on K3YbSe6 by Materials Project

description: KK2YbSe4(Se)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two potassium molecules; four selenium molecules; and one K2YbSe4 sheet oriented in the (0, 0, 1) direction. In the K2YbSe4 sheet, K1+ is bonded in a linear geometry to two equivalent Se1- atoms. Both K–Se bond lengths are 3.13 Å. Yb3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se1- atoms. All Yb–Se bond lengths are 2.81 Å. Se1- is bonded in a distorted linear geometry to one K1+, one Yb3+, and one Se1- atom. The Se–Se bond length is 2.44 Å.
DOI: 10.17188/1651541
title: Materials Data on Li3ZnFe2(PO4)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: 10.17188/1651542
title: Materials Data on LiZrN2 by Materials Project

description: LiZrN2 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four N+2.50- atoms. There are a spread of Li–N bond distances ranging from 2.01–2.26 Å. Zr4+ is bonded to six N+2.50- atoms to form edge-sharing ZrN6 octahedra. There are a spread of Zr–N bond distances ranging from 2.16–2.27 Å. There are two inequivalent N+2.50- sites. In the first N+2.50- site, N+2.50- is bonded to one Li1+ and three equivalent Zr4+ atoms to form distorted NLiZr3 tetrahedra that share corners with six equivalent NLi3Zr3 octahedra, corners with six equivalent NLiZr3 tetrahedra, and edges with three equivalent NLi3Zr3 octahedra. The corner-sharing octahedra tilt angles range from 4–62°. In the second N+2.50- site, N+2.50- is bonded to three equivalent Li1+ and three equivalent Zr4+ atoms to form NLi3Zr3 octahedra that share corners with six equivalent NLiZr3 tetrahedra, edges with six equivalent NLi3Zr3 octahedra, and edges with three equivalent NLiZr3 tetrahedra.
DOI: 10.17188/1651543
title: Materials Data on SrMo3(PO7)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: 10.17188/1651544
title: Materials Data on CsK2NbF6 by Materials Project

description: CsK2NbF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.77 Å. K1+ is bonded in a 12-coordinate geometry to twelve equivalent F1- atoms. All K–F bond lengths are 3.47 Å. Nb3+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–F bond lengths are 2.10 Å. F1- is bonded in a distorted linear geometry to one Cs1+, four equivalent K1+, and one Nb3+ atom.
DOI: 10.17188/1651546
title: Materials Data on LiMnPO4 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: 10.17188/1651547
title: Materials Data on CsGaAgF6 by Materials Project

description: CsAgGaF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.18–3.26 Å. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with four equivalent GaF6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Ag–F bond distances ranging from 2.07–2.38 Å. Ga3+ is bonded to six F1- atoms to form GaF6 octahedra that share corners with two equivalent GaF6 octahedra and corners with four equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 21–61°. There are a spread of Ga–F bond distances ranging from 1.91–1.96 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Cs1+, one Ag2+, and one Ga3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ga3+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Ag2+, and one Ga3+ atom.
DOI: 10.17188/1651548
title: Materials Data on LiCo5SbO8 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: 10.17188/1651549
title: Materials Data on Ba8Ge43 by Materials Project

description: Ba8Ge43 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to fourteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.44–3.54 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to ten Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.48–3.88 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Ba and four equivalent Ge atoms to form distorted corner-sharing GeBa4Ge4 tetrahedra. All Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.50 Å) and three longer (2.61 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three Ba and four Ge atoms. There are two shorter (2.56 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 5-coordinate geometry to two equivalent Ba and three Ge atoms. The Ge–Ge bond length is 2.57 Å. In the fifth Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. The Ge–Ge bond length is 2.49 Å.
DOI: 10.17188/1651550
title: Materials Data on HfMgCo2 by Materials Project

description: MgHfCo2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgHfCo2 ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Co atoms. Both Mg–Co bond lengths are 2.63 Å. Hf is bonded in a linear geometry to two equivalent Co atoms. Both Hf–Co bond lengths are 2.11 Å. Co is bonded in a linear geometry to one Mg and one Hf atom.
DOI: 10.17188/1651551
title: Materials Data on Y(MnAl)6 by Materials Project

description: Y(MnAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to twelve Mn and eight Al atoms. There are four shorter (3.21 Å) and eight longer (3.32 Å) Y–Mn bond lengths. There are a spread of Y–Al bond distances ranging from 2.92–3.04 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Y, four Mn, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn4Al6 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.52 Å) Mn–Mn bond lengths. There are two shorter (2.53 Å) and four longer (2.63 Å) Mn–Al bond lengths. In the second Mn site, Mn is bonded to two equivalent Y, four equivalent Mn, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn4Al6 cuboctahedra. There are a spread of Mn–Al bond distances ranging from 2.62–2.68 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Y, six Mn, and three Al atoms. There are one shorter (2.69 Å) and two longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Y, six Mn, and three Al atoms. There are one shorter (2.79 Å) and two longer (3.00 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y, six Mn, and four Al atoms.
DOI: 10.17188/1651552
title: Materials Data on MgCr2Fe3Ni(PO4)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1651553
title: Materials Data on PrNdIr2 by Materials Project

description: NdPrIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Nd–Ir bond lengths are 3.09 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Pr–Ir bond lengths are 3.09 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Pr atoms.
DOI: 10.17188/1651555
title: Materials Data on LaMg6Ga by Materials Project

description: Mg6LaGa 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 La, and two equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.11–3.48 Å. There are one shorter (3.27 Å) and one longer (3.44 Å) Mg–La bond lengths. Both Mg–Ga bond lengths are 3.18 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent La atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent LaMg10Ga2 cuboctahedra, corners with six equivalent MgLa2Mg10 cuboctahedra, edges with two equivalent LaMg10Ga2 cuboctahedra, edges with four equivalent MgMg10Ga2 cuboctahedra, faces with two equivalent LaMg10Ga2 cuboctahedra, and faces with four MgLa2Mg10 cuboctahedra. There are four shorter (3.15 Å) and two longer (3.20 Å) Mg–Mg bond lengths. Both Mg–La bond lengths are 3.36 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, two equivalent La, and one Ga atom. There are one shorter (3.14 Å) and two longer (3.36 Å) Mg–Mg bond lengths. Both Mg–La bond lengths are 3.31 Å. The Mg–Ga bond length is 3.23 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with six equivalent MgMg10Ga2 cuboctahedra, edges with four equivalent MgLa2Mg10 cuboctahedra, faces with four MgLa2Mg10 cuboctahedra, and faces with six equivalent LaMg10Ga2 cuboctahedra. Both Mg–Ga bond lengths are 3.36 Å. La is bonded to ten Mg and two equivalent Ga atoms to form distorted LaMg10Ga2 cuboctahedra that share corners with four equivalent MgLa2Mg10 cuboctahedra, corners with six equivalent LaMg10Ga2 cuboctahedra, edges with two equivalent MgLa2Mg10 cuboctahedra, faces with two equivalent LaMg10Ga2 cuboctahedra, and faces with eight MgLa2Mg10 cuboctahedra. Both La–Ga bond lengths are 3.12 Å. Ga is bonded in a 12-coordinate geometry to eight Mg and two equivalent La atoms.
DOI: 10.17188/1651557
title: Materials Data on MgGe by Materials Project

description: MgGe is alpha-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 7-coordinate geometry to seven equivalent Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.86–2.99 Å. Ge is bonded in a 7-coordinate geometry to seven equivalent Mg atoms.
DOI: 10.17188/1651558
title: Materials Data on NaMg6Fe by Materials Project

description: NaMg6Fe crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Na is bonded to ten Mg and two equivalent Fe atoms to form NaMg10Fe2 cuboctahedra that share corners with four equivalent FeNa2Mg10 cuboctahedra, corners with six equivalent NaMg10Fe2 cuboctahedra, corners with eight equivalent MgNa2Mg8Fe2 cuboctahedra, edges with two equivalent FeNa2Mg10 cuboctahedra, edges with eight MgNa2Mg8Fe2 cuboctahedra, faces with two equivalent NaMg10Fe2 cuboctahedra, faces with two equivalent FeNa2Mg10 cuboctahedra, and faces with twelve MgNa2Mg8Fe2 cuboctahedra. There are a spread of Na–Mg bond distances ranging from 3.10–3.14 Å. Both Na–Fe bond lengths are 3.27 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Na, eight Mg, and two equivalent Fe atoms to form distorted MgNa2Mg8Fe2 cuboctahedra that share corners with four equivalent NaMg10Fe2 cuboctahedra, corners with four equivalent FeNa2Mg10 cuboctahedra, corners with ten equivalent MgNa2Mg8Fe2 cuboctahedra, edges with two equivalent NaMg10Fe2 cuboctahedra, edges with two equivalent FeNa2Mg10 cuboctahedra, edges with ten MgNa2Mg8Fe2 cuboctahedra, faces with two equivalent NaMg10Fe2 cuboctahedra, faces with two equivalent FeNa2Mg10 cuboctahedra, and faces with eight MgNa2Mg8Fe2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.27 Å. There are one shorter (3.08 Å) and one longer (3.16 Å) Mg–Fe bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Na, six Mg, and two equivalent Fe atoms. There are a spread of Mg–Mg bond distances ranging from 2.97–3.26 Å. Both Mg–Fe bond lengths are 3.00 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Fe atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with ten MgMg10Fe2 cuboctahedra, edges with four equivalent FeNa2Mg10 cuboctahedra, edges with ten MgNa2Mg8Fe2 cuboctahedra, faces with two equivalent FeNa2Mg10 cuboctahedra, faces with six equivalent NaMg10Fe2 cuboctahedra, and faces with eight MgNa2Mg8Fe2 cuboctahedra. Both Mg–Mg bond lengths are 3.27 Å. Both Mg–Fe bond lengths are 3.10 Å. In the fourth Mg site, Mg is bonded to two equivalent Na and ten Mg atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with ten MgMg10Fe2 cuboctahedra, edges with four equivalent NaMg10Fe2 cuboctahedra, edges with ten MgNa2Mg8Fe2 cuboctahedra, faces with two equivalent NaMg10Fe2 cuboctahedra, faces with six equivalent FeNa2Mg10 cuboctahedra, and faces with eight MgNa2Mg8Fe2 cuboctahedra. Fe is bonded to two equivalent Na and ten Mg atoms to form FeNa2Mg10 cuboctahedra that share corners with four equivalent NaMg10Fe2 cuboctahedra, corners with six equivalent FeNa2Mg10 cuboctahedra, corners with eight equivalent MgNa2Mg8Fe2 cuboctahedra, edges with two equivalent NaMg10Fe2 cuboctahedra, edges with eight MgNa2Mg8Fe2 cuboctahedra, faces with two equivalent NaMg10Fe2 cuboctahedra, faces with two equivalent FeNa2Mg10 cuboctahedra, and faces with twelve MgNa2Mg8Fe2 cuboctahedra.
DOI: 10.17188/1651559
title: Materials Data on NdZnSn by Materials Project

description: NdZnSn crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. There are three shorter (3.27 Å) and three longer (3.32 Å) Nd–Zn bond lengths. There are three shorter (3.30 Å) and three longer (3.57 Å) Nd–Sn bond lengths. Zn is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Zn atoms. All Zn–Zn bond lengths are 2.81 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.84 Å.
DOI: 10.17188/1651560
title: Materials Data on Cs2Mo3O10 by Materials Project

description: Cs2Mo3O10 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.15–3.67 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.27 Å. In the second Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.09 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+ and two Mo6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms.
DOI: 10.17188/1651561
title: Materials Data on TbZnGe by Materials Project

description: TbZnGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Ge atoms. All Tb–Zn bond lengths are 2.95 Å. All Tb–Ge bond lengths are 3.26 Å. In the second Tb site, Tb is bonded to six equivalent Ge atoms to form distorted edge-sharing TbGe6 octahedra. All Tb–Ge bond lengths are 3.02 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Tb and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.50 Å. Ge is bonded in a 9-coordinate geometry to six Tb and three equivalent Zn atoms.
DOI: 10.17188/1651562
title: Materials Data on BeAuO3 by Materials Project

description: BeAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent AuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.79 Å. Au is bonded to twelve equivalent O atoms to form AuO12 cuboctahedra that share corners with twelve equivalent AuO12 cuboctahedra, faces with six equivalent AuO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Au–O bond lengths are 2.53 Å. O is bonded in a linear geometry to two equivalent Be and four equivalent Au atoms.
DOI: 10.17188/1651563
title: Materials Data on Ho5NiBi2 by Materials Project

description: Ho5NiBi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to one Ni and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing HoNiBi4 trigonal bipyramids. The Ho–Ni bond length is 2.75 Å. There are two shorter (3.15 Å) and two longer (3.16 Å) Ho–Bi bond lengths. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Ni and four equivalent Bi atoms. The Ho–Ni bond length is 2.75 Å. There are two shorter (3.23 Å) and two longer (3.28 Å) Ho–Bi bond lengths. In the third Ho site, Ho is bonded to one Ni and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing HoNiBi4 square pyramids. The Ho–Ni bond length is 2.99 Å. There are two shorter (3.12 Å) and two longer (3.14 Å) Ho–Bi bond lengths. In the fourth Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Bi atoms. There are one shorter (2.77 Å) and one longer (2.83 Å) Ho–Ni bond lengths. There are one shorter (3.26 Å) and one longer (3.28 Å) Ho–Bi bond lengths. Ni is bonded to seven Ho atoms to form distorted edge-sharing NiHo7 pentagonal bipyramids. Bi is bonded in a 8-coordinate geometry to eight Ho atoms.
DOI: 10.17188/1651564
title: Materials Data on Mg14GaCo by Materials Project

description: Mg14CoGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Co atoms to form distorted MgMg10Co2 cuboctahedra that share corners with four equivalent GaMg12 cuboctahedra, corners with fourteen MgMg10Co2 cuboctahedra, edges with two equivalent CoMg12 cuboctahedra, edges with eight MgMg10Co2 cuboctahedra, faces with two equivalent CoMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.16 Å. Both Mg–Co bond lengths are 3.13 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent CoMg12 cuboctahedra, corners with fourteen MgMg10Co2 cuboctahedra, edges with two equivalent GaMg12 cuboctahedra, edges with eight MgMg10Ga2 cuboctahedra, faces with two equivalent GaMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.18 Å. Both Mg–Ga bond lengths are 3.13 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Co, and one Ga atom. There are a spread of Mg–Mg bond distances ranging from 2.98–3.28 Å. The Mg–Co bond length is 2.95 Å. The Mg–Ga bond length is 3.11 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, edges with twelve MgMg10Co2 cuboctahedra, faces with three equivalent CoMg12 cuboctahedra, faces with three equivalent GaMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. Co is bonded to twelve Mg atoms to form CoMg12 cuboctahedra that share corners with six equivalent CoMg12 cuboctahedra, corners with twelve equivalent MgMg10Ga2 cuboctahedra, edges with six equivalent MgMg10Co2 cuboctahedra, faces with two equivalent GaMg12 cuboctahedra, and faces with twelve MgMg10Co2 cuboctahedra. Ga is bonded to twelve Mg atoms to form GaMg12 cuboctahedra that share corners with six equivalent GaMg12 cuboctahedra, corners with twelve equivalent MgMg10Co2 cuboctahedra, edges with six equivalent MgMg10Ga2 cuboctahedra, faces with two equivalent CoMg12 cuboctahedra, and faces with twelve MgMg10Ga2 cuboctahedra.