cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1314061
title: Materials Data on SbTeO3 by Materials Project

description: SbO3Te is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one tellurium molecule and one SbO3 framework. In the SbO3 framework, Sb is bonded to six equivalent O atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.09 Å. O is bonded in a linear geometry to two equivalent Sb atoms.
DOI: 10.17188/1314062
title: Materials Data on Ho2RuAu by Materials Project

description: Ho2RuAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Au atoms. All Ho–Ru bond lengths are 3.02 Å. All Ho–Au bond lengths are 3.02 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1314063
title: Materials Data on K3Y by Materials Project

description: K3Y is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Y atoms to form distorted KK8Y4 cuboctahedra that share corners with twelve equivalent KK8Y4 cuboctahedra, edges with eight equivalent KK8Y4 cuboctahedra, edges with eight equivalent YK12 cuboctahedra, faces with four equivalent YK12 cuboctahedra, and faces with ten equivalent KK8Y4 cuboctahedra. There are four shorter (4.18 Å) and four longer (4.38 Å) K–K bond lengths. All K–Y bond lengths are 4.38 Å. In the second K site, K is bonded in a distorted square co-planar geometry to eight equivalent K and four equivalent Y atoms. All K–Y bond lengths are 4.18 Å. Y is bonded to twelve K atoms to form YK12 cuboctahedra that share corners with four equivalent YK12 cuboctahedra, edges with eight equivalent YK12 cuboctahedra, edges with sixteen equivalent KK8Y4 cuboctahedra, faces with four equivalent YK12 cuboctahedra, and faces with eight equivalent KK8Y4 cuboctahedra.
DOI: 10.17188/1314064
title: Materials Data on HoLuCd2 by Materials Project

description: LuHoCd2 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 eight equivalent Cd atoms. All Lu–Cd bond lengths are 3.21 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ho–Cd bond lengths are 3.21 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ho atoms.
DOI: 10.17188/1314065
title: Materials Data on KSr3 by Materials Project

description: KSr3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight equivalent Sr atoms. All K–Sr bond lengths are 4.24 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a body-centered cubic geometry to four equivalent K and four equivalent Sr atoms. All Sr–Sr bond lengths are 4.24 Å. In the second Sr site, Sr is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.
DOI: 10.17188/1314066
title: Materials Data on HoLuAu2 by Materials Project

description: LuHoAu2 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 eight equivalent Au atoms. All Lu–Au bond lengths are 3.08 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ho–Au bond lengths are 3.08 Å. Au is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ho atoms.
DOI: 10.17188/1314067
title: Materials Data on LiLu2Pd by Materials Project

description: LiLu2Pd 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 Lu atoms. All Li–Lu bond lengths are 3.01 Å. Lu is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms. All Lu–Pd bond lengths are 3.01 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1314068
title: Materials Data on MnBe3 by Materials Project

description: Be3Mn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to eight equivalent Be and four equivalent Mn atoms to form BeMn4Be8 cuboctahedra that share corners with twelve equivalent BeMn4Be8 cuboctahedra, edges with eight equivalent MnBe12 cuboctahedra, edges with sixteen equivalent BeMn4Be8 cuboctahedra, faces with four equivalent MnBe12 cuboctahedra, and faces with fourteen equivalent BeMn4Be8 cuboctahedra. All Be–Be bond lengths are 2.30 Å. All Be–Mn bond lengths are 2.30 Å. Mn is bonded to twelve equivalent Be atoms to form MnBe12 cuboctahedra that share corners with twelve equivalent MnBe12 cuboctahedra, edges with twenty-four equivalent BeMn4Be8 cuboctahedra, faces with six equivalent MnBe12 cuboctahedra, and faces with twelve equivalent BeMn4Be8 cuboctahedra.
DOI: 10.17188/1314070
title: Materials Data on Lu3Ga by Materials Project

description: Lu3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Ga atoms to form distorted LuLu8Ga4 cuboctahedra that share corners with four equivalent GaLu12 cuboctahedra, corners with fourteen equivalent LuLu8Ga4 cuboctahedra, edges with six equivalent GaLu12 cuboctahedra, edges with twelve equivalent LuLu8Ga4 cuboctahedra, faces with four equivalent GaLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Ga4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.20–3.41 Å. There are two shorter (3.20 Å) and two longer (3.30 Å) Lu–Ga bond lengths. Ga is bonded to twelve equivalent Lu atoms to form GaLu12 cuboctahedra that share corners with six equivalent GaLu12 cuboctahedra, corners with twelve equivalent LuLu8Ga4 cuboctahedra, edges with eighteen equivalent LuLu8Ga4 cuboctahedra, faces with eight equivalent GaLu12 cuboctahedra, and faces with twelve equivalent LuLu8Ga4 cuboctahedra.
DOI: 10.17188/1314071
title: Materials Data on Mg5As by Materials Project

description: Mg5As crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent As atoms to form distorted MgMg10As2 cuboctahedra that share corners with six equivalent MgMg10As2 cuboctahedra, edges with six equivalent MgMg11As cuboctahedra, and faces with five MgMg10As2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.20 Å. Both Mg–As bond lengths are 3.23 Å. In the second Mg site, Mg is bonded to eleven Mg and one As atom to form distorted MgMg11As cuboctahedra that share corners with six equivalent MgMg11As cuboctahedra, edges with six equivalent MgMg10As2 cuboctahedra, and faces with five MgMg10As2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.20 Å. The Mg–As bond length is 3.17 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and two equivalent As atoms. Both Mg–As bond lengths are 2.88 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to three Mg and two equivalent As atoms. Both Mg–As bond lengths are 2.99 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and two equivalent As atoms. Both Mg–As bond lengths are 3.02 Å. As is bonded in a 12-coordinate geometry to nine Mg atoms.
DOI: 10.17188/1314072
title: Materials Data on MgIn3 by Materials Project

description: MgIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve In atoms to form MgIn12 cuboctahedra that share corners with four equivalent MgIn12 cuboctahedra, corners with eight equivalent InMg4In8 cuboctahedra, edges with eight equivalent MgIn12 cuboctahedra, edges with sixteen equivalent InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. There are four shorter (3.26 Å) and eight longer (3.34 Å) Mg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Mg and eight equivalent In atoms to form distorted InMg4In8 cuboctahedra that share corners with four equivalent InMg4In8 cuboctahedra, corners with eight equivalent MgIn12 cuboctahedra, edges with twenty-four InMg4In8 cuboctahedra, faces with six equivalent MgIn12 cuboctahedra, and faces with twelve InMg4In8 cuboctahedra. All In–In bond lengths are 3.34 Å. In the second In site, In is bonded to four equivalent Mg and eight In atoms to form distorted InMg4In8 cuboctahedra that share corners with twelve equivalent InMg4In8 cuboctahedra, edges with eight equivalent MgIn12 cuboctahedra, edges with sixteen InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. All In–In bond lengths are 3.26 Å.
DOI: 10.17188/1314073
title: Materials Data on Ho2PdRh by Materials Project

description: Ho2RhPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Pd atoms. All Ho–Rh bond lengths are 2.99 Å. All Ho–Pd bond lengths are 2.99 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1314074
title: Materials Data on NaLi3 by Materials Project

description: NaLi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent Li atoms to form a mixture of corner and face-sharing NaLi12 cuboctahedra. There are six shorter (3.25 Å) and six longer (3.29 Å) Na–Li bond lengths. Li is bonded in a 10-coordinate geometry to four equivalent Na and six equivalent Li atoms. There are two shorter (3.11 Å) and four longer (3.20 Å) Li–Li bond lengths.
DOI: 10.17188/1314075
title: Materials Data on MgIn3 by Materials Project

description: MgIn3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mg is bonded to ten In atoms to form distorted MgIn10 cuboctahedra that share corners with twelve equivalent MgIn10 cuboctahedra, corners with twelve InMg3In9 cuboctahedra, edges with two equivalent MgIn10 cuboctahedra, edges with eight equivalent InMg3In9 cuboctahedra, faces with two equivalent MgIn10 cuboctahedra, and faces with eighteen InMg3In9 cuboctahedra. There are a spread of Mg–In bond distances ranging from 3.28–3.33 Å. There are two inequivalent In sites. In the first In site, In is bonded to three equivalent Mg and nine In atoms to form distorted InMg3In9 cuboctahedra that share corners with two equivalent MgIn10 cuboctahedra, corners with eighteen equivalent InMg3In9 cuboctahedra, edges with four equivalent MgIn10 cuboctahedra, edges with twelve InMg3In9 cuboctahedra, faces with six equivalent MgIn10 cuboctahedra, and faces with fourteen InMg3In9 cuboctahedra. There are a spread of In–In bond distances ranging from 3.28–3.38 Å. In the second In site, In is bonded to four equivalent Mg and eight In atoms to form distorted InMg4In8 cuboctahedra that share corners with eight equivalent MgIn10 cuboctahedra, corners with fourteen equivalent InMg4In8 cuboctahedra, edges with fourteen InMg3In9 cuboctahedra, faces with six equivalent MgIn10 cuboctahedra, and faces with fourteen InMg3In9 cuboctahedra. Both In–In bond lengths are 3.38 Å.
DOI: 10.17188/1314076
title: Materials Data on Li2MgGe by Materials Project

description: Li2MgGe 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 four equivalent Mg and four equivalent Ge atoms. All Li–Mg bond lengths are 2.74 Å. All Li–Ge bond lengths are 2.74 Å. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1314077
title: Materials Data on SbPH4(O2F3)2 by Materials Project

description: P(HO)4SbF6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four tetrahydroxyphosphanium molecules and four SbF6 clusters. In each SbF6 cluster, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.94 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.
DOI: 10.17188/1314078
title: Materials Data on HoLuZn2 by Materials Project

description: LuHoZn2 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 eight equivalent Zn atoms. All Lu–Zn bond lengths are 3.05 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ho–Zn bond lengths are 3.05 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ho atoms.
DOI: 10.17188/1314079
title: Materials Data on NaMg by Materials Project

description: NaMg is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Na is bonded to four equivalent Na and eight equivalent Mg atoms to form NaNa4Mg8 cuboctahedra that share corners with eight equivalent MgNa8Mg4 cuboctahedra, corners with ten equivalent NaNa4Mg8 cuboctahedra, edges with six equivalent NaNa4Mg8 cuboctahedra, edges with twelve equivalent MgNa8Mg4 cuboctahedra, faces with eight equivalent MgNa8Mg4 cuboctahedra, and faces with twelve equivalent NaNa4Mg8 cuboctahedra. There are two shorter (3.29 Å) and two longer (3.34 Å) Na–Na bond lengths. There are a spread of Na–Mg bond distances ranging from 3.42–3.60 Å. Mg is bonded to eight equivalent Na and four equivalent Mg atoms to form MgNa8Mg4 cuboctahedra that share corners with eight equivalent NaNa4Mg8 cuboctahedra, corners with ten equivalent MgNa8Mg4 cuboctahedra, edges with six equivalent MgNa8Mg4 cuboctahedra, edges with twelve equivalent NaNa4Mg8 cuboctahedra, faces with eight equivalent NaNa4Mg8 cuboctahedra, and faces with twelve equivalent MgNa8Mg4 cuboctahedra. There are two shorter (3.23 Å) and two longer (3.29 Å) Mg–Mg bond lengths.
DOI: 10.17188/1314080
title: Materials Data on Hg2H6CN3Cl5 by Materials Project

description: Hg2Cl5CN3H6 crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of four guanidinium molecules and two Hg2Cl5 sheets oriented in the (0, 0, 1) direction. In each Hg2Cl5 sheet, Hg2+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.35–3.43 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to four equivalent Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom.
DOI: 10.17188/1314081
title: Materials Data on Lu3Th by Materials Project

description: ThLu3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Lu atoms to form ThLu12 cuboctahedra that share corners with four equivalent ThLu12 cuboctahedra, corners with eight equivalent LuLu8Th4 cuboctahedra, edges with eight equivalent ThLu12 cuboctahedra, edges with sixteen equivalent LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with fourteen LuLu8Th4 cuboctahedra. There are eight shorter (3.49 Å) and four longer (3.53 Å) Th–Lu bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Th and eight Lu atoms to form LuLu8Th4 cuboctahedra that share corners with twelve equivalent LuLu8Th4 cuboctahedra, edges with eight equivalent ThLu12 cuboctahedra, edges with sixteen LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with fourteen LuLu8Th4 cuboctahedra. There are four shorter (3.49 Å) and four longer (3.53 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded to four equivalent Th and eight equivalent Lu atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent LuLu8Th4 cuboctahedra, corners with eight equivalent ThLu12 cuboctahedra, edges with twenty-four LuLu8Th4 cuboctahedra, faces with six equivalent ThLu12 cuboctahedra, and faces with twelve LuLu8Th4 cuboctahedra.
DOI: 10.17188/1314082
title: Materials Data on SbRh3 by Materials Project

description: Rh3Sb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh is bonded to eight equivalent Rh and four equivalent Sb atoms to form RhSb4Rh8 cuboctahedra that share corners with twelve equivalent RhSb4Rh8 cuboctahedra, edges with eight equivalent SbRh12 cuboctahedra, edges with sixteen equivalent RhSb4Rh8 cuboctahedra, faces with four equivalent SbRh12 cuboctahedra, and faces with fourteen equivalent RhSb4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.81 Å. All Rh–Sb bond lengths are 2.81 Å. Sb is bonded to twelve equivalent Rh atoms to form SbRh12 cuboctahedra that share corners with twelve equivalent SbRh12 cuboctahedra, edges with twenty-four equivalent RhSb4Rh8 cuboctahedra, faces with six equivalent SbRh12 cuboctahedra, and faces with twelve equivalent RhSb4Rh8 cuboctahedra.
DOI: 10.17188/1314083
title: Materials Data on Li2MgHg by Materials Project

description: Li2MgHg 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 four equivalent Mg and four equivalent Hg atoms. All Li–Mg bond lengths are 2.87 Å. All Li–Hg bond lengths are 2.87 Å. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1314084
title: Materials Data on NaCo3 by Materials Project

description: NaCo3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. There are six shorter (2.91 Å) and six longer (3.03 Å) Na–Co bond lengths. Co is bonded in a 10-coordinate geometry to four equivalent Na and six equivalent Co atoms. There are two shorter (2.37 Å) and four longer (2.43 Å) Co–Co bond lengths.
DOI: 10.17188/1314085
title: Materials Data on SbPt3 by Materials Project

description: Pt3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pt+0.67+ sites. In the first Pt+0.67+ site, Pt+0.67+ is bonded to four equivalent Sb2- atoms to form PtSb4 tetrahedra that share corners with twelve equivalent PtSb6 octahedra, corners with sixteen equivalent PtSb4 tetrahedra, edges with six equivalent PtSb4 tetrahedra, and faces with four equivalent PtSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–Sb bond lengths are 2.82 Å. In the second Pt+0.67+ site, Pt+0.67+ is bonded to six equivalent Sb2- atoms to form PtSb6 octahedra that share corners with six equivalent PtSb6 octahedra, corners with twenty-four equivalent PtSb4 tetrahedra, edges with twelve equivalent PtSb6 octahedra, and faces with eight equivalent PtSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–Sb bond lengths are 3.26 Å. Sb2- is bonded in a distorted body-centered cubic geometry to fourteen Pt+0.67+ atoms.
DOI: 10.17188/1314093
title: Materials Data on SbPt3 by Materials Project

description: Pt3Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67+ sites. In the first Pt+0.67+ site, Pt+0.67+ is bonded in a 4-coordinate geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 2.92 Å. In the second Pt+0.67+ site, Pt+0.67+ is bonded in a square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 2.86 Å. Sb2- is bonded to twelve Pt+0.67+ atoms to form a mixture of edge, corner, and face-sharing SbPt12 cuboctahedra.
DOI: 10.17188/1314094
title: Materials Data on Mg by Materials Project

description: Mg is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of corner, edge, and face-sharing MgMg12 cuboctahedra. There are six shorter (3.17 Å) and six longer (3.20 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to twelve Mg atoms to form a mixture of corner, edge, and face-sharing MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å.
DOI: 10.17188/1314095
title: Materials Data on MgIn5 by Materials Project

description: MgIn5 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent In atoms to form distorted MgIn6 cuboctahedra that share corners with twelve equivalent InIn12 cuboctahedra, edges with six equivalent MgIn6 cuboctahedra, and faces with two equivalent InIn12 cuboctahedra. All Mg–In bond lengths are 3.22 Å. There are three inequivalent In sites. In the first In site, In is bonded to three equivalent Mg and three equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing InMg3In3 cuboctahedra. All In–In bond lengths are 3.40 Å. In the second In site, In is bonded to twelve In atoms to form InIn12 cuboctahedra that share corners with six equivalent MgIn6 cuboctahedra, corners with eighteen InMg3In3 cuboctahedra, edges with eighteen InMg3In3 cuboctahedra, a faceface with one MgIn6 cuboctahedra, and faces with thirteen InIn12 cuboctahedra. There are six shorter (3.36 Å) and three longer (3.44 Å) In–In bond lengths. In the third In site, In is bonded to twelve In atoms to form InIn12 cuboctahedra that share corners with eighteen InMg3In3 cuboctahedra, edges with eighteen InIn12 cuboctahedra, and faces with twenty InMg3In3 cuboctahedra. All In–In bond lengths are 3.36 Å.