cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1313913
title: Materials Data on Tm2Ni12As7 by Materials Project

description: Tm2Ni12As7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent As3- atoms to form distorted TmAs6 pentagonal pyramids that share corners with six equivalent NiAs5 square pyramids, corners with twelve NiAs4 tetrahedra, edges with twelve NiAs4 tetrahedra, and faces with two equivalent TmAs6 pentagonal pyramids. All Tm–As bond lengths are 2.95 Å. In the second Tm3+ site, Tm3+ is bonded to six equivalent As3- atoms to form distorted TmAs6 pentagonal pyramids that share corners with six equivalent NiAs5 square pyramids, corners with twelve NiAs4 tetrahedra, edges with three equivalent NiAs5 square pyramids, edges with nine NiAs4 tetrahedra, and faces with two equivalent TmAs6 pentagonal pyramids. All Tm–As bond lengths are 2.95 Å. There are four inequivalent Ni+1.25+ sites. In the first Ni+1.25+ site, Ni+1.25+ is bonded to four As3- atoms to form NiAs4 tetrahedra that share corners with four TmAs6 pentagonal pyramids, corners with two equivalent NiAs5 square pyramids, corners with ten NiAs4 tetrahedra, an edgeedge with one TmAs6 pentagonal pyramid, edges with four equivalent NiAs5 square pyramids, and edges with three NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.27–2.38 Å. In the second Ni+1.25+ site, Ni+1.25+ is bonded to four As3- atoms to form NiAs4 tetrahedra that share corners with two equivalent TmAs6 pentagonal pyramids, corners with four equivalent NiAs5 square pyramids, corners with ten NiAs4 tetrahedra, edges with three TmAs6 pentagonal pyramids, an edgeedge with one NiAs5 square pyramid, and edges with four NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.34–2.42 Å. In the third Ni+1.25+ site, Ni+1.25+ is bonded to four As3- atoms to form NiAs4 tetrahedra that share corners with two equivalent TmAs6 pentagonal pyramids, corners with two equivalent NiAs5 square pyramids, corners with twelve NiAs4 tetrahedra, edges with three TmAs6 pentagonal pyramids, edges with two equivalent NiAs5 square pyramids, and edges with three NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.32–2.41 Å. In the fourth Ni+1.25+ site, Ni+1.25+ is bonded to five As3- atoms to form distorted NiAs5 square pyramids that share corners with four TmAs6 pentagonal pyramids, corners with four equivalent NiAs5 square pyramids, corners with eight NiAs4 tetrahedra, an edgeedge with one TmAs6 pentagonal pyramid, edges with four equivalent NiAs5 square pyramids, and edges with seven NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.44–2.60 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to nine Ni+1.25+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Tm3+ and seven Ni+1.25+ atoms. In the third As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Tm3+ and seven Ni+1.25+ atoms.
DOI: 10.17188/1313914
title: Materials Data on Si3F by Materials Project

description: (Si)6F2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one Si framework. In the Si framework, there are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four equivalent Si atoms. All Si–Si bond lengths are 2.59 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.
DOI: 10.17188/1313915
title: Materials Data on Si2OsRu by Materials Project

description: RuOsSi2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four ruthenium molecules and one OsSi2 framework. In the OsSi2 framework, Os2- is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Os–Si bond lengths are 2.56 Å. Si is bonded to four equivalent Os2- atoms to form a mixture of distorted edge and corner-sharing SiOs4 tetrahedra.
DOI: 10.17188/1313916
title: Materials Data on SiTc3 by Materials Project

description: Tc3Si is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+1.33- is bonded to eight equivalent Tc+1.33- and four equivalent Si4+ atoms to form TcSi4Tc8 cuboctahedra that share corners with four equivalent SiTc12 cuboctahedra, corners with fourteen equivalent TcSi4Tc8 cuboctahedra, edges with six equivalent SiTc12 cuboctahedra, edges with twelve equivalent TcSi4Tc8 cuboctahedra, faces with four equivalent SiTc12 cuboctahedra, and faces with sixteen equivalent TcSi4Tc8 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.64–2.78 Å. There are two shorter (2.68 Å) and two longer (2.71 Å) Tc–Si bond lengths. Si4+ is bonded to twelve equivalent Tc+1.33- atoms to form SiTc12 cuboctahedra that share corners with six equivalent SiTc12 cuboctahedra, corners with twelve equivalent TcSi4Tc8 cuboctahedra, edges with eighteen equivalent TcSi4Tc8 cuboctahedra, faces with eight equivalent SiTc12 cuboctahedra, and faces with twelve equivalent TcSi4Tc8 cuboctahedra.
DOI: 10.17188/1313917
title: Materials Data on Si2B2O5 by Materials Project

description: B2Si2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. B is bonded to five O atoms to form distorted BO5 square pyramids that share corners with five equivalent BO5 square pyramids and faces with four equivalent SiO12 cuboctahedra. There is one shorter (1.44 Å) and four longer (1.74 Å) B–O bond length. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Si–O bond lengths are 2.32 Å. In the second Si site, Si is bonded to twelve O atoms to form distorted SiO12 cuboctahedra that share corners with four equivalent SiO12 cuboctahedra, faces with four equivalent SiO12 cuboctahedra, and faces with eight equivalent BO5 square pyramids. There are four shorter (2.41 Å) and eight longer (2.49 Å) Si–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent B and four Si atoms. In the second O site, O is bonded in a linear geometry to two equivalent B and four equivalent Si atoms.
DOI: 10.17188/1313918
title: Materials Data on SiO2 by Materials Project

description: SiO2 is Low Tridymite-like structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.63 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.64 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms.
DOI: 10.17188/1313919
title: Materials Data on SiTc2W by Materials Project

description: WTc2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All W–Tc bond lengths are 2.65 Å. Tc3- is bonded to four equivalent W2+ and four equivalent Si4+ atoms to form a mixture of distorted face, edge, and corner-sharing TcSi4W4 tetrahedra. All Tc–Si bond lengths are 2.65 Å. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.
DOI: 10.17188/1313920
title: Materials Data on SiBO3 by Materials Project

description: BOSiO2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. B is bonded to six equivalent O atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent SiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.67 Å. Si is bonded to twelve equivalent O atoms to form SiO12 cuboctahedra that share corners with twelve equivalent SiO12 cuboctahedra, faces with six equivalent SiO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Si–O bond lengths are 2.36 Å. O is bonded in a distorted linear geometry to two equivalent B and four equivalent Si atoms.
DOI: 10.17188/1313921
title: Materials Data on SiH8 by Materials Project

description: SiH4(H2)2 is Silicon tetrafluoride-like structured and crystallizes in the tetragonal I-4m2 space group. The structure is zero-dimensional and consists of four hydrogen molecules and two silane molecules.
DOI: 10.17188/1313922
title: Materials Data on SiBiO3 by Materials Project

description: SiBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.90 Å. Bi2+ is bonded to twelve equivalent O2- atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Bi–O bond lengths are 2.69 Å. O2- is bonded in a distorted linear geometry to two equivalent Si4+ and four equivalent Bi2+ atoms.
DOI: 10.17188/1313923
title: Materials Data on Cu3Si by Materials Project

description: Cu3Si is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ is bonded to eight Cu+1.33+ and four equivalent Si4- atoms to form distorted CuCu8Si4 cuboctahedra that share corners with twelve equivalent CuCu8Si4 cuboctahedra, edges with eight equivalent CuCu8Si4 cuboctahedra, edges with eight equivalent SiCu12 cuboctahedra, faces with four equivalent SiCu12 cuboctahedra, and faces with ten equivalent CuCu8Si4 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.58 Å) Cu–Cu bond lengths. All Cu–Si bond lengths are 2.58 Å. In the second Cu+1.33+ site, Cu+1.33+ is bonded in a distorted square co-planar geometry to eight equivalent Cu+1.33+ and four equivalent Si4- atoms. All Cu–Si bond lengths are 2.55 Å. Si4- is bonded to twelve Cu+1.33+ atoms to form SiCu12 cuboctahedra that share corners with four equivalent SiCu12 cuboctahedra, edges with eight equivalent SiCu12 cuboctahedra, edges with sixteen equivalent CuCu8Si4 cuboctahedra, faces with four equivalent SiCu12 cuboctahedra, and faces with eight equivalent CuCu8Si4 cuboctahedra.
DOI: 10.17188/1313924
title: Materials Data on SiGeN2O by Materials Project

description: SiGeN2O crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Ge4+ is bonded to three N3- and one O2- atom to form GeN3O tetrahedra that share corners with two equivalent GeN3O tetrahedra and corners with five equivalent SiN3O tetrahedra. There is two shorter (1.84 Å) and one longer (1.85 Å) Ge–N bond length. The Ge–O bond length is 1.78 Å. Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share corners with two equivalent SiN3O tetrahedra and corners with five equivalent GeN3O tetrahedra. There is two shorter (1.74 Å) and one longer (1.75 Å) Si–N bond length. The Si–O bond length is 1.64 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two equivalent Ge4+ and one Si4+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Ge4+ and two equivalent Si4+ atoms. O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one Si4+ atom.
DOI: 10.17188/1313925
title: Materials Data on SiBi3 by Materials Project

description: SiBi2Bi is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four bismuth molecules and one SiBi2 framework. In the SiBi2 framework, Si4- is bonded in a body-centered cubic geometry to eight equivalent Bi+1.33+ atoms. All Si–Bi bond lengths are 3.32 Å. Bi+1.33+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing BiSi4 tetrahedra.
DOI: 10.17188/1313926
title: Materials Data on SiBO3 by Materials Project

description: BOSiO2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one boron molecule and one SiO3 framework. In the SiO3 framework, Si is bonded to six equivalent O atoms to form corner-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.75 Å. O is bonded in a linear geometry to two equivalent Si atoms.
DOI: 10.17188/1313927
title: Materials Data on SiMo by Materials Project

description: MoSi is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing MoSi6 pentagonal pyramids. All Mo–Si bond lengths are 2.52 Å. Si4- is bonded to six equivalent Mo4+ atoms to form a mixture of distorted corner, edge, and face-sharing SiMo6 pentagonal pyramids.
DOI: 10.17188/1313929
title: Materials Data on Sc2TlTc by Materials Project

description: Sc2TcTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Tl atoms. All Sc–Tc bond lengths are 2.95 Å. All Sc–Tl bond lengths are 2.95 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1313930
title: Materials Data on Sc2PdAu by Materials Project

description: Sc2PdAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Pd and four equivalent Au atoms. All Sc–Pd bond lengths are 2.92 Å. All Sc–Au bond lengths are 2.92 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1313931
title: Materials Data on SiAu3 by Materials Project

description: Au3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au+1.33+ is bonded in a see-saw-like geometry to four equivalent Si4- atoms. There are two shorter (2.89 Å) and two longer (2.92 Å) Au–Si bond lengths. Si4- is bonded to twelve equivalent Au+1.33+ atoms to form a mixture of corner and face-sharing SiAu12 cuboctahedra.
DOI: 10.17188/1313932
title: Materials Data on Sc2GaPt by Materials Project

description: Sc2PtGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Ga atoms. All Sc–Pt bond lengths are 2.89 Å. All Sc–Ga bond lengths are 2.89 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1313933
title: Materials Data on SeBr3 by Materials Project

description: SeBr(Br)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Br sheets oriented in the (0, 0, 1) direction and two SeBr sheets oriented in the (0, 0, 1) direction. In each Br sheet, Br is bonded in a square co-planar geometry to four equivalent Br atoms. All Br–Br bond lengths are 2.81 Å. In each SeBr sheet, Se is bonded in a square co-planar geometry to four equivalent Br atoms. All Se–Br bond lengths are 2.81 Å. Br is bonded in a square co-planar geometry to four equivalent Se atoms.
DOI: 10.17188/1313934
title: Materials Data on Sc3Cd by Materials Project

description: Sc3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Cd atoms to form distorted ScSc8Cd4 cuboctahedra that share corners with four equivalent CdSc12 cuboctahedra, corners with fourteen equivalent ScSc8Cd4 cuboctahedra, edges with six equivalent CdSc12 cuboctahedra, edges with twelve equivalent ScSc8Cd4 cuboctahedra, faces with four equivalent CdSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Cd4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.16–3.25 Å. All Sc–Cd bond lengths are 3.20 Å. Cd is bonded to twelve equivalent Sc atoms to form CdSc12 cuboctahedra that share corners with six equivalent CdSc12 cuboctahedra, corners with twelve equivalent ScSc8Cd4 cuboctahedra, edges with eighteen equivalent ScSc8Cd4 cuboctahedra, faces with eight equivalent CdSc12 cuboctahedra, and faces with twelve equivalent ScSc8Cd4 cuboctahedra.
DOI: 10.17188/1313935
title: Materials Data on Sc2AlIr by Materials Project

description: Sc2IrAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Al atoms. All Sc–Ir bond lengths are 2.86 Å. All Sc–Al bond lengths are 2.86 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1313936
title: Materials Data on Sc2CdAg by Materials Project

description: Sc2AgCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Cd atoms. All Sc–Ag bond lengths are 3.03 Å. All Sc–Cd bond lengths are 3.03 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1313937
title: Materials Data on Sc2AlCu by Materials Project

description: Sc2CuAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Al atoms. All Sc–Cu bond lengths are 2.89 Å. All Sc–Al bond lengths are 2.89 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1313938
title: Materials Data on ScSn3 by Materials Project

description: ScSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Sn atoms to form a mixture of corner and face-sharing ScSn12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.40 Å) Sc–Sn bond lengths. Sn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.15–3.42 Å.
DOI: 10.17188/1313958
title: Materials Data on ScBe13 by Materials Project

description: ScBe13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to ten Be and two equivalent Sc atoms to form a mixture of distorted corner, edge, and face-sharing BeSc2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.12–2.30 Å. Both Be–Sc bond lengths are 2.94 Å. In the second Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. Sc is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.
DOI: 10.17188/1313959
title: Materials Data on MgHg5 by Materials Project

description: MgHg5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten Hg atoms. There are a spread of Mg–Hg bond distances ranging from 3.18–3.25 Å. There are five inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Hg site, Hg is bonded in a distorted water-like geometry to two equivalent Mg and two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the third Hg site, Hg is bonded in a 8-coordinate geometry to eight Hg atoms. There are two shorter (3.25 Å) and four longer (3.28 Å) Hg–Hg bond lengths. In the fourth Hg site, Hg is bonded in a 8-coordinate geometry to two equivalent Mg and four equivalent Hg atoms. In the fifth Hg site, Hg is bonded in a 8-coordinate geometry to two equivalent Mg and two equivalent Hg atoms.
DOI: 10.17188/1313960
title: Materials Data on ScAu3 by Materials Project

description: Au3Sc is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent Au1- atoms to form a mixture of corner and face-sharing ScAu12 cuboctahedra. There are six shorter (2.97 Å) and six longer (2.98 Å) Sc–Au bond lengths. Au1- is bonded in a distorted see-saw-like geometry to four equivalent Sc3+ atoms.
DOI: 10.17188/1313961
title: Materials Data on Sc2GaAu by Materials Project

description: Sc2AuGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Ga atoms. All Sc–Au bond lengths are 2.95 Å. All Sc–Ga bond lengths are 2.95 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1313962
title: Materials Data on Sc2GaIr by Materials Project

description: Sc2IrGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ga atoms. All Sc–Ir bond lengths are 2.85 Å. All Sc–Ga bond lengths are 2.85 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1313963
title: Materials Data on Sc2AlAg by Materials Project

description: Sc2AgAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Al atoms. All Sc–Ag bond lengths are 2.97 Å. All Sc–Al bond lengths are 2.97 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.