cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1310599
title: Materials Data on Tm2CdIn by Materials Project

description: Tm2CdIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent In atoms. All Tm–Cd bond lengths are 3.21 Å. All Tm–In bond lengths are 3.21 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. In is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310600
title: Materials Data on Tm2CoOs by Materials Project

description: Tm2OsCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Co atoms. All Tm–Os bond lengths are 2.89 Å. All Tm–Co bond lengths are 2.89 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310601
title: Materials Data on Tm2CoRu by Materials Project

description: Tm2RuCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Co atoms. All Tm–Ru bond lengths are 2.88 Å. All Tm–Co bond lengths are 2.88 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310602
title: Materials Data on UO2 by Materials Project

description: UO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. U4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (2.25 Å) and four longer (2.27 Å) U–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent U4+ atoms.
DOI: 10.17188/1310603
title: Materials Data on Tm2CuOs by Materials Project

description: Tm2OsCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Cu atoms. All Tm–Os bond lengths are 2.93 Å. All Tm–Cu bond lengths are 2.93 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310604
title: Materials Data on Tm2CuIr by Materials Project

description: Tm2IrCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Cu atoms. All Tm–Ir bond lengths are 2.94 Å. All Tm–Cu bond lengths are 2.94 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310605
title: Materials Data on Be2CuRh by Materials Project

description: Be2RhCu 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 four equivalent Rh and four equivalent Cu atoms. All Be–Rh bond lengths are 2.38 Å. All Be–Cu bond lengths are 2.38 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Be atoms. Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Be atoms.
DOI: 10.17188/1310606
title: Materials Data on Tm2CoIr by Materials Project

description: Tm2IrCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Co atoms. All Tm–Ir bond lengths are 2.90 Å. All Tm–Co bond lengths are 2.90 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310607
title: Materials Data on Lu2MgOs by Materials Project

description: MgLu2Os is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Lu and six equivalent Os atoms. All Mg–Lu bond lengths are 3.00 Å. All Mg–Os bond lengths are 3.47 Å. Lu is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Os atoms. All Lu–Os bond lengths are 3.00 Å. Os is bonded in a body-centered cubic geometry to six equivalent Mg and eight equivalent Lu atoms.
DOI: 10.17188/1310608
title: Materials Data on Gd2MgTl by Materials Project

description: MgGd2Tl 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 Gd atoms. All Mg–Gd bond lengths are 3.31 Å. Gd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Gd–Tl bond lengths are 3.31 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.
DOI: 10.17188/1310609
title: Materials Data on Tm2CuPt by Materials Project

description: Tm2PtCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Cu atoms. All Tm–Pt bond lengths are 2.97 Å. All Tm–Cu bond lengths are 2.97 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310610
title: Materials Data on Lu2MgRu by Materials Project

description: MgLu2Ru is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Lu and six equivalent Ru atoms. All Mg–Lu bond lengths are 3.01 Å. All Mg–Ru bond lengths are 3.48 Å. Lu is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ru atoms. All Lu–Ru bond lengths are 3.01 Å. Ru is bonded in a body-centered cubic geometry to six equivalent Mg and eight equivalent Lu atoms.
DOI: 10.17188/1310611
title: Materials Data on Tm2CuRu by Materials Project

description: Tm2RuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Cu atoms. All Tm–Ru bond lengths are 2.92 Å. All Tm–Cu bond lengths are 2.92 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310612
title: Materials Data on Lu2PdRu by Materials Project

description: Lu2RuPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Pd atoms. All Lu–Ru bond lengths are 2.93 Å. All Lu–Pd bond lengths are 2.93 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310613
title: Materials Data on Lu2IrRu by Materials Project

description: Lu2RuIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Ir atoms. All Lu–Ru bond lengths are 2.89 Å. All Lu–Ir bond lengths are 2.89 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310614
title: Materials Data on UTlO3 by Materials Project

description: UTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U5+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.18 Å. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent UO6 octahedra. All Tl–O bond lengths are 3.08 Å. O2- is bonded in a distorted linear geometry to two equivalent U5+ and four equivalent Tl1+ atoms.
DOI: 10.17188/1310615
title: Materials Data on Tm2Mg by Materials Project

description: Tm2Mg crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight Tm atoms. There are a spread of Mg–Tm bond distances ranging from 3.28–3.33 Å. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six equivalent Mg and six Tm atoms to form a mixture of distorted edge, face, and corner-sharing TmTm6Mg6 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.49–3.58 Å. In the second Tm site, Tm is bonded to two equivalent Mg and ten Tm atoms to form a mixture of distorted edge, face, and corner-sharing TmTm10Mg2 cuboctahedra. There are four shorter (3.35 Å) and two longer (3.58 Å) Tm–Tm bond lengths.
DOI: 10.17188/1310616
title: Materials Data on LuCl3 by Materials Project

description: LuCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two LuCl3 ribbons oriented in the (0, 0, 1) direction. Lu3+ is bonded to six equivalent Cl1- atoms to form distorted face-sharing LuCl6 pentagonal pyramids. All Lu–Cl bond lengths are 2.61 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Lu3+ atoms.
DOI: 10.17188/1310617
title: Materials Data on Lu2CoRu by Materials Project

description: Lu2RuCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Co atoms. All Lu–Ru bond lengths are 2.86 Å. All Lu–Co bond lengths are 2.86 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310618
title: Materials Data on Lu2PdPt by Materials Project

description: Lu2PtPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Pd atoms. All Lu–Pt bond lengths are 2.97 Å. All Lu–Pd bond lengths are 2.97 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310619
title: Materials Data on TmHg3 by Materials Project

description: TmHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing TmHg12 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.30 Å) Tm–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Tm atoms.
DOI: 10.17188/1310620
title: Materials Data on Lu2MgTc by Materials Project

description: MgLu2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Lu and six equivalent Tc atoms. All Mg–Lu bond lengths are 3.03 Å. All Mg–Tc bond lengths are 3.50 Å. Lu is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tc atoms. All Lu–Tc bond lengths are 3.03 Å. Tc is bonded in a body-centered cubic geometry to six equivalent Mg and eight equivalent Lu atoms.
DOI: 10.17188/1310621
title: Materials Data on Lu2NiOs by Materials Project

description: Lu2OsNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Ni atoms. All Lu–Os bond lengths are 2.88 Å. All Lu–Ni bond lengths are 2.88 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310622
title: Materials Data on Lu2NiRu by Materials Project

description: Lu2RuNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Ni atoms. All Lu–Ru bond lengths are 2.87 Å. All Lu–Ni bond lengths are 2.87 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310623
title: Materials Data on Lu2OsPd by Materials Project

description: Lu2OsPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Pd atoms. All Lu–Os bond lengths are 2.92 Å. All Lu–Pd bond lengths are 2.92 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310624
title: Materials Data on Lu2NiIr by Materials Project

description: Lu2IrNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ni atoms. All Lu–Ir bond lengths are 2.88 Å. All Lu–Ni bond lengths are 2.88 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310625
title: Materials Data on Tm2ZnPt by Materials Project

description: Tm2PtZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Zn atoms. All Tm–Pt bond lengths are 3.01 Å. All Tm–Zn bond lengths are 3.01 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310626
title: Materials Data on Tm2GaOs by Materials Project

description: Tm2OsGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Ga atoms. All Tm–Os bond lengths are 2.98 Å. All Tm–Ga bond lengths are 2.98 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310627
title: Materials Data on Tm2HgOs by Materials Project

description: Tm2OsHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Hg atoms. All Tm–Os bond lengths are 3.03 Å. All Tm–Hg bond lengths are 3.03 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310628
title: Materials Data on Tm2InOs by Materials Project

description: Tm2OsIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent In atoms. All Tm–Os bond lengths are 3.05 Å. All Tm–In bond lengths are 3.05 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. In is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310629
title: Materials Data on Zn3Rh by Materials Project

description: RhZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rh is bonded to twelve Zn atoms to form RhZn12 cuboctahedra that share corners with four equivalent RhZn12 cuboctahedra, edges with eight equivalent RhZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Rh4 cuboctahedra, faces with four equivalent RhZn12 cuboctahedra, and faces with eight equivalent ZnZn8Rh4 cuboctahedra. There are four shorter (2.63 Å) and eight longer (2.76 Å) Rh–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Rh and eight Zn atoms to form distorted ZnZn8Rh4 cuboctahedra that share corners with twelve equivalent ZnZn8Rh4 cuboctahedra, edges with eight equivalent RhZn12 cuboctahedra, edges with eight equivalent ZnZn8Rh4 cuboctahedra, faces with four equivalent RhZn12 cuboctahedra, and faces with ten equivalent ZnZn8Rh4 cuboctahedra. There are four shorter (2.63 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Rh and eight equivalent Zn atoms.
DOI: 10.17188/1310630
title: Materials Data on Tm2IrOs by Materials Project

description: Tm2OsIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Ir atoms. All Tm–Os bond lengths are 2.92 Å. All Tm–Ir bond lengths are 2.92 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310631
title: Materials Data on Li2GdTl by Materials Project

description: Li2GdTl is Heusler structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Tl atoms. All Li–Gd bond lengths are 3.01 Å. All Li–Tl bond lengths are 3.01 Å. Gd is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1310632
title: Materials Data on Lu2Mn12P7 by Materials Project

description: Lu2Mn12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent P atoms. All Lu–P bond lengths are 2.81 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent P atoms. All Lu–P bond lengths are 2.82 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form distorted MnP4 tetrahedra that share corners with two equivalent MnP5 square pyramids, corners with twelve MnP4 tetrahedra, edges with two equivalent MnP5 square pyramids, and edges with three MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.29–2.36 Å. In the second Mn site, Mn is bonded to four P atoms to form distorted MnP4 tetrahedra that share corners with two equivalent MnP5 square pyramids, corners with ten MnP4 tetrahedra, edges with four equivalent MnP5 square pyramids, and edges with three MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.22–2.29 Å. In the third Mn site, Mn is bonded to four P atoms to form MnP4 tetrahedra that share corners with four equivalent MnP5 square pyramids, corners with ten MnP4 tetrahedra, an edgeedge with one MnP5 square pyramid, and edges with four MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.31–2.33 Å. In the fourth Mn site, Mn is bonded to five P atoms to form distorted MnP5 square pyramids that share corners with four equivalent MnP5 square pyramids, corners with eight MnP4 tetrahedra, edges with four equivalent MnP5 square pyramids, and edges with seven MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.43–2.52 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Lu and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Lu and seven Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Mn atoms.
DOI: 10.17188/1310656
title: Materials Data on Tm2ZnRu by Materials Project

description: Tm2RuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Zn atoms. All Tm–Ru bond lengths are 2.97 Å. All Tm–Zn bond lengths are 2.97 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310658
title: Materials Data on TmI3 by Materials Project

description: TmI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two TmI3 ribbons oriented in the (0, 0, 1) direction. Tm3+ is bonded to six equivalent I1- atoms to form distorted face-sharing TmI6 pentagonal pyramids. All Tm–I bond lengths are 3.03 Å. I1- is bonded in an L-shaped geometry to two equivalent Tm3+ atoms.
DOI: 10.17188/1310659
title: Materials Data on Tm2IrPd by Materials Project

description: Tm2IrPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Pd atoms. All Tm–Ir bond lengths are 2.96 Å. All Tm–Pd bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310660
title: Materials Data on Zn3Pt by Materials Project

description: PtZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pt is bonded to twelve Zn atoms to form PtZn12 cuboctahedra that share corners with four equivalent PtZn12 cuboctahedra, edges with eight equivalent PtZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Pt4 cuboctahedra, faces with four equivalent PtZn12 cuboctahedra, and faces with eight equivalent ZnZn8Pt4 cuboctahedra. There are four shorter (2.68 Å) and eight longer (2.78 Å) Pt–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pt and eight Zn atoms to form distorted ZnZn8Pt4 cuboctahedra that share corners with twelve equivalent ZnZn8Pt4 cuboctahedra, edges with eight equivalent PtZn12 cuboctahedra, edges with eight equivalent ZnZn8Pt4 cuboctahedra, faces with four equivalent PtZn12 cuboctahedra, and faces with ten equivalent ZnZn8Pt4 cuboctahedra. There are four shorter (2.68 Å) and four longer (2.78 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Pt and eight equivalent Zn atoms.
DOI: 10.17188/1310661
title: Materials Data on Tm2MgAl by Materials Project

description: MgTm2Al 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 Tm atoms. All Mg–Tm bond lengths are 3.14 Å. Tm is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Tm–Al bond lengths are 3.14 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.