cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1739534
title: Materials Data on Gd2CuRu by Materials Project

description: Gd2RuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Cu atoms. All Gd–Ru bond lengths are 2.99 Å. All Gd–Cu bond lengths are 2.99 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.
DOI: 10.17188/1739535
title: Materials Data on La4Mn3Sb8 by Materials Project

description: La4Mn3Sb8 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are a spread of La–Sb bond distances ranging from 3.35–3.39 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four equivalent Sb+2.25- atoms to form edge-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.74 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent Sb+2.25- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.72 Å. There are three inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.13 Å. In the second Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb+2.25- atoms. In the third Sb+2.25- site, Sb+2.25- is bonded in a 7-coordinate geometry to four equivalent La3+ and three Mn2+ atoms.
DOI: 10.17188/1739537
title: Materials Data on Li7Fe7SiO16 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1739538
title: Materials Data on Cs2InAuCl6 by Materials Project

description: Cs2AuInCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent AuCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Cs–Cl bond lengths are 3.77 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.74 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.58 Å. Cl1- is bonded to four equivalent Cs1+, one Au1+, and one In3+ atom to form a mixture of distorted corner, edge, and face-sharing ClCs4InAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1739539
title: Materials Data on B by Materials Project

description: B is gamma plutonium structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four B clusters. there are five inequivalent B sites. In the first B site, B is bonded in a 4-coordinate geometry to four B atoms. There are a spread of B–B bond distances ranging from 1.60–1.88 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.60–1.72 Å. In the third B site, B is bonded in a distorted trigonal non-coplanar geometry to three B atoms. The B–B bond length is 1.60 Å. In the fourth B site, B is bonded in a 4-coordinate geometry to four B atoms. The B–B bond length is 1.61 Å. In the fifth B site, B is bonded in a 4-coordinate geometry to four B atoms.
DOI: 10.17188/1739540
title: Materials Data on YMg by Materials Project

description: MgY is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Y atoms to form a mixture of corner and edge-sharing MgY6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–Y bond lengths are 3.12 Å. Y is bonded to six equivalent Mg atoms to form a mixture of corner and edge-sharing YMg6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1739541
title: Materials Data on PmMgTl2 by Materials Project

description: MgPmTl2 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 Tl atoms. All Mg–Tl bond lengths are 3.27 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pm–Tl bond lengths are 3.27 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pm atoms.
DOI: 10.15468/z2466h
title: An overview of the Syrphidae (Diptera) of Saudi Arabia

description: This dataset contains the digitized treatments in Plazi based on the original journal article Dawah, Hassan A., Abdullah, Mohammed A., Ahmad, Syed Kamran, Al-Dhafer, Hathal, Turner, James (2020): An overview of the Syrphidae (Diptera) of Saudi Arabia. Zootaxa 4855 (1): 1-69, DOI: https://doi.org/10.11646/zootaxa.4855.1.1
DOI: 10.17188/1739542
title: Materials Data on BaInO3 by Materials Project

description: BaInO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent InO6 octahedra. All Ba–O bond lengths are 3.03 Å. In is bonded to six equivalent O atoms to form InO6 octahedra that share corners with six equivalent InO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–O bond lengths are 2.14 Å. O is bonded to four equivalent Ba and two equivalent In atoms to form a mixture of distorted edge, face, and corner-sharing OBa4In2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1739543
title: Materials Data on NaPdF3 by Materials Project

description: Na4Pd3F10PdF2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of one palladium difluoride molecule and one Na4Pd3F10 framework. In the Na4Pd3F10 framework, there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted bent 150 degrees geometry to two F1- atoms. There is one shorter (1.58 Å) and one longer (1.61 Å) Na–F bond length. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Na–F bond lengths are 1.74 Å. In the third Na1+ site, Na1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.35–2.66 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Pd–F bond distances ranging from 2.02–2.52 Å. In the second Pd2+ site, Pd2+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (1.84 Å) and two longer (2.18 Å) Pd–F bond lengths. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two Pd2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Na1+ and one Pd2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Na1+ and one Pd2+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two Na1+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two Pd2+ atoms.
DOI: 10.17188/1739544
title: Materials Data on YZrPd2 by Materials Project

description: YZrPd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YZrPd2 ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Pd atoms. Both Y–Pd bond lengths are 2.49 Å. Zr is bonded in a linear geometry to two equivalent Pd atoms. Both Zr–Pd bond lengths are 2.58 Å. Pd is bonded in a linear geometry to one Y and one Zr atom.
DOI: 10.17188/1739545
title: Materials Data on Bi(Mo3S4)2 by Materials Project

description: BiMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.58 Å. Bi3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.75 Å) and six longer (3.11 Å) Bi–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Mo+2.17+ and one Bi3+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.17+ and one Bi3+ atom.
DOI: 10.17188/1739546
title: Materials Data on Cs2CuAuF6 by Materials Project

description: Cs2AuCuF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent AuF6 octahedra, and faces with four equivalent CuF6 octahedra. All Cs–F bond lengths are 3.11 Å. Au3+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.34 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent AuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.05 Å. F1- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Au3+, and one Cu1+ atom.
DOI: 10.17188/1739548
title: Materials Data on Cr3Fe2O15 by Materials Project

description: Cr2FeO8CrFeO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two CrFeO7 ribbons oriented in the (0, 1, 0) direction and one Cr2FeO8 sheet oriented in the (0, 0, 1) direction. In each CrFeO7 ribbon, Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent FeO5 trigonal bipyramids. There are a spread of Cr–O bond distances ranging from 1.60–1.80 Å. Fe is bonded to five O atoms to form FeO5 trigonal bipyramids that share corners with two equivalent CrO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.65–1.90 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a single-bond geometry to one Fe atom. In the third O site, O is bonded in a single-bond geometry to one Fe atom. In the fourth O site, O is bonded in a single-bond geometry to one Cr atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Cr and one Fe atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Cr and one Fe atom. In the seventh O site, O is bonded in a single-bond geometry to one Cr atom. In the Cr2FeO8 sheet, there are two inequivalent Cr sites. In the first Cr site, Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 24–59°. There are a spread of Cr–O bond distances ranging from 1.61–1.77 Å. In the second Cr site, Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 11–33°. There are a spread of Cr–O bond distances ranging from 1.60–1.71 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six CrO4 tetrahedra and an edgeedge with one FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.98–2.10 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Cr and two equivalent Fe atoms. In the second O site, O is bonded in a linear geometry to one Cr and one Fe atom. In the third O site, O is bonded in a single-bond geometry to one Cr atom. In the fourth O site, O is bonded in a single-bond geometry to one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one Cr atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Cr and one Fe atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Cr and one Fe atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Cr and one Fe atom.
DOI: 10.17188/1739549
title: Materials Data on TeO2 by Materials Project

description: TeO2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TeO2 sheets oriented in the (0, 1, 0) direction. Te4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Te–O bond distances ranging from 2.19–2.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Te4+ atoms to form a mixture of distorted edge and corner-sharing OTe4 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Te4+ atoms.
DOI: 10.17188/1739550
title: Materials Data on Sr3Fe2Cl2O5 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1739551
title: Materials Data on K2RbGaBr6 by Materials Project

description: RbK2GaBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Br1- atoms to form RbBr6 octahedra that share corners with six equivalent GaBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Br bond lengths are 3.22 Å. K1+ is bonded to twelve equivalent Br1- atoms to form distorted KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent RbBr6 octahedra, and faces with four equivalent GaBr6 octahedra. All K–Br bond lengths are 4.10 Å. Ga3+ is bonded to six equivalent Br1- atoms to form GaBr6 octahedra that share corners with six equivalent RbBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Br bond lengths are 2.56 Å. Br1- is bonded in a linear geometry to one Rb1+, four equivalent K1+, and one Ga3+ atom.
DOI: 10.17188/1739552
title: Materials Data on Dy4Al2O9 by Materials Project

description: Dy4Al2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with five AlO4 tetrahedra and edges with two equivalent DyO7 hexagonal pyramids. There are a spread of Dy–O bond distances ranging from 2.21–2.38 Å. In the second Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 hexagonal pyramids that share corners with three AlO4 tetrahedra, edges with two equivalent DyO6 octahedra, and edges with two AlO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.26–2.51 Å. In the third Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.25–2.68 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.79 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent DyO7 hexagonal pyramids, corners with two equivalent DyO6 octahedra, a cornercorner with one AlO4 tetrahedra, and an edgeedge with one DyO7 hexagonal pyramid. The corner-sharing octahedra tilt angles range from 39–53°. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share a cornercorner with one DyO7 hexagonal pyramid, corners with three equivalent DyO6 octahedra, a cornercorner with one AlO4 tetrahedra, and an edgeedge with one DyO7 hexagonal pyramid. The corner-sharing octahedra tilt angles range from 51–61°. There are a spread of Al–O bond distances ranging from 1.75–1.78 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Al3+ atom. In the second O2- site, O2- is bonded to four Dy3+ atoms to form ODy4 tetrahedra that share corners with five ODy3Al tetrahedra and edges with two ODy4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Al3+ atom. In the fourth O2- site, O2- is bonded to three Dy3+ and one Al3+ atom to form distorted ODy3Al tetrahedra that share corners with six ODy4 tetrahedra and an edgeedge with one ODy2Al2 tetrahedra. In the fifth O2- site, O2- is bonded to two Dy3+ and two Al3+ atoms to form distorted ODy2Al2 tetrahedra that share corners with three ODy4 tetrahedra and edges with two ODy3Al tetrahedra. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Al3+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Al3+ atom. In the eighth O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Al3+ atom.
DOI: 10.17188/1739553
title: Materials Data on BaAlCdF7 by Materials Project

description: BaCdAlF7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.65–3.21 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with four equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Cd–F bond distances ranging from 2.19–2.34 Å. In the second Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cd–F bond distances ranging from 2.20–2.66 Å. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Al–F bond distances ranging from 1.81–1.88 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Cd2+, and one Al3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Ba2+, one Cd2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Cd2+, and one Al3+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Cd2+, and one Al3+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Ba2+ and two Cd2+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+, one Cd2+, and one Al3+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Al3+ atom.
DOI: 10.17188/1739554
title: Materials Data on Mg5Sb by Materials Project

description: Mg5Sb 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 Sb atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with two equivalent SbMg10 cuboctahedra, corners with twenty MgMg10Sb2 cuboctahedra, edges with four equivalent SbMg10 cuboctahedra, edges with nine MgMg5Sb3 cuboctahedra, faces with three equivalent SbMg10 cuboctahedra, and faces with sixteen MgMg10Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.26 Å. Both Mg–Sb bond lengths are 3.28 Å. In the second Mg site, Mg is bonded to five Mg and three equivalent Sb atoms to form distorted MgMg5Sb3 cuboctahedra that share corners with two equivalent SbMg10 cuboctahedra, corners with nineteen MgMg10Sb2 cuboctahedra, edges with three equivalent SbMg10 cuboctahedra, edges with thirteen MgMg10Sb2 cuboctahedra, and faces with nine MgMg10Sb2 cuboctahedra. There are two shorter (3.19 Å) and one longer (3.23 Å) Mg–Mg bond lengths. There are one shorter (3.15 Å) and two longer (3.21 Å) Mg–Sb bond lengths. In the third Mg site, Mg is bonded to six Mg and two equivalent Sb atoms to form distorted MgMg6Sb2 cuboctahedra that share corners with seven equivalent SbMg10 cuboctahedra, corners with fourteen MgMg10Sb2 cuboctahedra, an edgeedge with one SbMg10 cuboctahedra, edges with thirteen MgMg10Sb2 cuboctahedra, and faces with eleven MgMg10Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.24 Å. Both Mg–Sb bond lengths are 3.16 Å. In the fourth Mg site, Mg is bonded to eleven Mg and one Sb atom to form distorted MgMg11Sb cuboctahedra that share corners with twenty-one MgMg10Sb2 cuboctahedra, edges with four equivalent SbMg10 cuboctahedra, edges with fifteen MgMg10Sb2 cuboctahedra, faces with four equivalent SbMg10 cuboctahedra, and faces with ten MgMg10Sb2 cuboctahedra. There are two shorter (3.21 Å) and two longer (3.26 Å) Mg–Mg bond lengths. The Mg–Sb bond length is 3.23 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Sb atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with eight equivalent SbMg10 cuboctahedra, corners with fourteen MgMg5Sb3 cuboctahedra, an edgeedge with one SbMg10 cuboctahedra, edges with twelve MgMg10Sb2 cuboctahedra, faces with three equivalent SbMg10 cuboctahedra, and faces with sixteen MgMg10Sb2 cuboctahedra. Both Mg–Mg bond lengths are 3.26 Å. Both Mg–Sb bond lengths are 3.24 Å. Sb is bonded to ten Mg atoms to form distorted SbMg10 cuboctahedra that share corners with four equivalent SbMg10 cuboctahedra, corners with nineteen MgMg10Sb2 cuboctahedra, edges with thirteen MgMg10Sb2 cuboctahedra, faces with two equivalent SbMg10 cuboctahedra, and faces with ten MgMg10Sb2 cuboctahedra.