cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1309522
title: Materials Data on DyMgAg2 by Materials Project

description: MgDyAg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Mg–Ag bond lengths are 3.04 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Dy–Ag bond lengths are 3.04 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Dy atoms.
DOI: 10.17188/1309523
title: Materials Data on ErMg3 by Materials Project

description: Mg3Er is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Er atoms. All Mg–Mg bond lengths are 3.16 Å. All Mg–Er bond lengths are 3.16 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Er atoms. All Mg–Er bond lengths are 3.65 Å. Er is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.
DOI: 10.17188/1309524
title: Materials Data on Ba2Ga2O5 by Materials Project

description: Ba2Ga2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.76 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, and faces with eight equivalent GaO5 square pyramids. There are four shorter (2.83 Å) and eight longer (3.00 Å) Ba–O bond lengths. Ga3+ is bonded to five O2- atoms to form GaO5 square pyramids that share corners with five equivalent GaO5 square pyramids and faces with four equivalent BaO12 cuboctahedra. There is one shorter (1.90 Å) and four longer (2.03 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1309525
title: Materials Data on Ac2GaCu by Materials Project

description: Ac2CuGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Ga atoms. All Ac–Cu bond lengths are 3.32 Å. All Ac–Ga bond lengths are 3.32 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1309526
title: Materials Data on LiHf2Os by Materials Project

description: LiHf2Os is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Hf and six equivalent Os atoms. All Li–Hf bond lengths are 2.83 Å. All Li–Os bond lengths are 3.27 Å. Hf is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Os atoms. All Hf–Os bond lengths are 2.83 Å. Os is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Hf atoms.
DOI: 10.17188/1309527
title: Materials Data on LiAc2Ir by Materials Project

description: LiAc2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. All Li–Ac bond lengths are 3.29 Å. Ac is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Ac–Ir bond lengths are 3.29 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1309528
title: Materials Data on LiAc2Ru by Materials Project

description: LiAc2Ru is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. All Li–Ac bond lengths are 3.28 Å. Ac is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All Ac–Ru bond lengths are 3.28 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1309529
title: Materials Data on CuH6(NCl)2 by Materials Project

description: CuH6(NCl)2 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two CuH6(NCl)2 ribbons oriented in the (0, 0, 1) direction. Cu2+ is bonded to two equivalent N3- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing CuN2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cu–N bond lengths are 1.99 Å. There are a spread of Cu–Cl bond distances ranging from 2.36–3.01 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Cu2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a T-shaped geometry to three equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.
DOI: 10.17188/1309530
title: Materials Data on Cs3Rb by Materials Project

description: Cs3Rb is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs is bonded to eight equivalent Cs and four equivalent Rb atoms to form CsCs8Rb4 cuboctahedra that share corners with four equivalent RbCs12 cuboctahedra, corners with fourteen equivalent CsCs8Rb4 cuboctahedra, edges with six equivalent RbCs12 cuboctahedra, edges with twelve equivalent CsCs8Rb4 cuboctahedra, faces with four equivalent RbCs12 cuboctahedra, and faces with sixteen equivalent CsCs8Rb4 cuboctahedra. There are a spread of Cs–Cs bond distances ranging from 5.34–5.41 Å. There are two shorter (5.34 Å) and two longer (5.37 Å) Cs–Rb bond lengths. Rb is bonded to twelve equivalent Cs atoms to form RbCs12 cuboctahedra that share corners with six equivalent RbCs12 cuboctahedra, corners with twelve equivalent CsCs8Rb4 cuboctahedra, edges with eighteen equivalent CsCs8Rb4 cuboctahedra, faces with eight equivalent RbCs12 cuboctahedra, and faces with twelve equivalent CsCs8Rb4 cuboctahedra.
DOI: 10.17188/1309531
title: Materials Data on Ac by Materials Project

description: Ac is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to twelve Ac atoms to form a mixture of face, edge, and corner-sharing AcAc12 cuboctahedra. There are six shorter (3.99 Å) and six longer (4.02 Å) Ac–Ac bond lengths. In the second Ac site, Ac is bonded to twelve Ac atoms to form a mixture of face, edge, and corner-sharing AcAc12 cuboctahedra. All Ac–Ac bond lengths are 4.02 Å.
DOI: 10.17188/1309532
title: Materials Data on Al2FeCo by Materials Project

description: Al2FeCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Fe–Al bond lengths are 2.48 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Co–Al bond lengths are 2.48 Å. Al is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Co atoms.
DOI: 10.17188/1309533
title: Materials Data on DyHoMg2 by Materials Project

description: Mg2HoDy is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Dy atoms. All Mg–Ho bond lengths are 3.27 Å. All Mg–Dy bond lengths are 3.27 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Dy is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1309534
title: Materials Data on BaNaH3Pd by Materials Project

description: NaBaPdH3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to six equivalent H atoms to form NaH6 octahedra that share corners with six equivalent PdBa2H3 trigonal bipyramids, edges with six equivalent BaH6Pd2 hexagonal bipyramids, and faces with two equivalent NaH6 octahedra. All Na–H bond lengths are 2.36 Å. Ba is bonded to two equivalent Pd and six equivalent H atoms to form BaH6Pd2 hexagonal bipyramids that share corners with eight equivalent BaH6Pd2 hexagonal bipyramids, corners with six equivalent HBa2Na2Pd trigonal bipyramids, edges with six equivalent NaH6 octahedra, and edges with three equivalent PdBa2H3 trigonal bipyramids. Both Ba–Pd bond lengths are 3.10 Å. All Ba–H bond lengths are 3.04 Å. Pd is bonded to two equivalent Ba and three equivalent H atoms to form PdBa2H3 trigonal bipyramids that share corners with six equivalent NaH6 octahedra, corners with two equivalent PdBa2H3 trigonal bipyramids, corners with twelve equivalent HBa2Na2Pd trigonal bipyramids, and edges with three equivalent BaH6Pd2 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. All Pd–H bond lengths are 1.74 Å. H is bonded to two equivalent Na, two equivalent Ba, and one Pd atom to form distorted HBa2Na2Pd trigonal bipyramids that share corners with two equivalent BaH6Pd2 hexagonal bipyramids, corners with four equivalent PdBa2H3 trigonal bipyramids, corners with twelve equivalent HBa2Na2Pd trigonal bipyramids, edges with two equivalent HBa2Na2Pd trigonal bipyramids, and faces with two equivalent HBa2Na2Pd trigonal bipyramids.
DOI: 10.17188/1309535
title: Materials Data on Al2IrRh by Materials Project

description: IrRhAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.61 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Rh–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Rh atoms.
DOI: 10.17188/1309536
title: Materials Data on Al2CoRu by Materials Project

description: RuCoAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ru–Al bond lengths are 2.55 Å. Co is bonded in a distorted body-centered cubic geometry to eight equivalent Al atoms. All Co–Al bond lengths are 2.55 Å. Al is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Co atoms.
DOI: 10.17188/1309537
title: Materials Data on CeGa3 by Materials Project

description: CeGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Ga atoms to form a mixture of distorted corner and face-sharing CeGa12 cuboctahedra. There are six shorter (3.09 Å) and six longer (3.21 Å) Ce–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Ce and six equivalent Ga atoms. All Ga–Ga bond lengths are 2.80 Å.
DOI: 10.17188/1309538
title: Materials Data on Er2MgGe2 by Materials Project

description: Er2MgGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to four equivalent Ge atoms. All Mg–Ge bond lengths are 2.86 Å. Er is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are two shorter (2.93 Å) and four longer (3.06 Å) Er–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Er, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1309539
title: Materials Data on Ac2SiAu by Materials Project

description: Ac2AuSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Si atoms. All Ac–Au bond lengths are 3.37 Å. All Ac–Si bond lengths are 3.37 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1309541
title: Materials Data on ScTaOs2 by Materials Project

description: ScTaOs2 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 eight equivalent Os atoms. All Sc–Os bond lengths are 2.77 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ta–Os bond lengths are 2.77 Å. Os is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ta atoms.
DOI: 10.17188/1309542
title: Materials Data on SmBO3 by Materials Project

description: SmBO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.64 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.66 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 1.37–1.41 Å. In the second 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 1.36–1.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Sm3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Sm3+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Sm3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Sm3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Sm3+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Sm3+ and one B3+ atom.
DOI: 10.17188/1309543
title: Materials Data on AlVOs2 by Materials Project

description: VOs2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All V–Os bond lengths are 2.61 Å. Os is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Al atoms. All Os–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Os atoms.
DOI: 10.17188/1309544
title: Materials Data on CsCaCO3F by Materials Project

description: CsCaCO3F crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to eight O2- and three equivalent F1- atoms. There are four shorter (3.13 Å) and four longer (3.22 Å) Cs–O bond lengths. There are one shorter (3.14 Å) and two longer (3.25 Å) Cs–F bond lengths. Ca2+ is bonded to five O2- and two equivalent F1- atoms to form corner-sharing CaO5F2 pentagonal bipyramids. There are a spread of Ca–O bond distances ranging from 2.36–2.52 Å. Both Ca–F bond lengths are 2.30 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two equivalent Ca2+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Cs1+, one Ca2+, and one C4+ atom. F1- is bonded in a distorted linear geometry to three equivalent Cs1+ and two equivalent Ca2+ atoms.
DOI: 10.17188/1309545
title: Materials Data on Sc2AgHg by Materials Project

description: Sc2AgHg 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 Hg atoms. All Sc–Ag bond lengths are 3.02 Å. All Sc–Hg bond lengths are 3.02 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309546
title: Materials Data on Sc2AgAu by Materials Project

description: Sc2AuAg 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 Ag atoms. All Sc–Au bond lengths are 2.97 Å. All Sc–Ag bond lengths are 2.97 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309547
title: Materials Data on ScZn2Pt by Materials Project

description: ScPtZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to six equivalent Pt and eight equivalent Zn atoms. All Sc–Pt bond lengths are 3.16 Å. All Sc–Zn bond lengths are 2.73 Å. Pt is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Zn atoms. All Pt–Zn bond lengths are 2.73 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Pt atoms.
DOI: 10.17188/1309548
title: Materials Data on AlZnIr2 by Materials Project

description: Ir2ZnAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Al atoms. All Ir–Zn bond lengths are 2.62 Å. All Ir–Al bond lengths are 2.62 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1309549
title: Materials Data on BeCo2Ge by Materials Project

description: BeCo2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Ge atoms. All Be–Co bond lengths are 2.38 Å. All Be–Ge bond lengths are 2.75 Å. Co is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Ge atoms. All Co–Ge bond lengths are 2.38 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Be and eight equivalent Co atoms.
DOI: 10.17188/1309550
title: Materials Data on CeAg3 by Materials Project

description: CeAg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Ag atoms to form a mixture of corner and face-sharing CeAg12 cuboctahedra. There are six shorter (3.21 Å) and six longer (3.28 Å) Ce–Ag bond lengths. Ag is bonded in a 4-coordinate geometry to four equivalent Ce and six equivalent Ag atoms. There are two shorter (2.97 Å) and four longer (2.99 Å) Ag–Ag bond lengths.
DOI: 10.17188/1309551
title: Materials Data on Sc2CdTc by Materials Project

description: Sc2TcCd 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 Cd atoms. All Sc–Tc bond lengths are 2.92 Å. All Sc–Cd bond lengths are 2.92 Å. Tc 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: 10.17188/1309552
title: Materials Data on Sc2CdIn by Materials Project

description: Sc2CdIn 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 Cd and four equivalent In atoms. All Sc–Cd bond lengths are 3.08 Å. All Sc–In bond lengths are 3.08 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. In is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309553
title: Materials Data on Sc2CoIr by Materials Project

description: Sc2IrCo 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 Co atoms. All Sc–Ir bond lengths are 2.76 Å. All Sc–Co bond lengths are 2.76 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309554
title: Materials Data on BeGeRu2 by Materials Project

description: BeRu2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Be–Ru bond lengths are 2.53 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.53 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1309555
title: Materials Data on Be3Ir by Materials Project

description: Be3Ir is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to eight Be and four equivalent Ir atoms to form distorted BeBe8Ir4 cuboctahedra that share corners with twelve equivalent BeBe8Ir4 cuboctahedra, edges with eight equivalent BeBe8Ir4 cuboctahedra, edges with eight equivalent IrBe12 cuboctahedra, faces with four equivalent IrBe12 cuboctahedra, and faces with ten equivalent BeBe8Ir4 cuboctahedra. There are four shorter (2.32 Å) and four longer (2.45 Å) Be–Be bond lengths. All Be–Ir bond lengths are 2.45 Å. In the second Be site, Be is bonded in a square co-planar geometry to eight equivalent Be and four equivalent Ir atoms. All Be–Ir bond lengths are 2.32 Å. Ir is bonded to twelve Be atoms to form IrBe12 cuboctahedra that share corners with four equivalent IrBe12 cuboctahedra, edges with eight equivalent IrBe12 cuboctahedra, edges with sixteen equivalent BeBe8Ir4 cuboctahedra, faces with four equivalent IrBe12 cuboctahedra, and faces with eight equivalent BeBe8Ir4 cuboctahedra.
DOI: 10.17188/1309556
title: Materials Data on Al2PdRu by Materials Project

description: RuPdAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ru–Al bond lengths are 2.62 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pd–Al bond lengths are 2.62 Å. Al is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Pd atoms.