cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1730632
title: Materials Data on Sr2YCu2BiPbO8 by Materials Project

description: BiPbSr2YCu2O8 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two BiPbSr2YCu2O8 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.97 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.97 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.58 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are four shorter (1.92 Å) and one longer (2.49 Å) Cu–O bond lengths. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are four shorter (1.95 Å) and one longer (2.31 Å) Cu–O bond lengths. Pb2+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.22–2.38 Å. Bi3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.14 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two Sr2+, two equivalent Y3+, and two Cu2+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two Sr2+, two equivalent Y3+, and two Cu2+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Cu2+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded to four Sr2+, one Cu2+, and one Pb2+ atom to form distorted corner-sharing OSr4CuPb octahedra. The corner-sharing octahedral tilt angles are 20°. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+, one Pb2+, and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Pb2+, and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to two Sr2+, two equivalent Y3+, and two Cu2+ atoms. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to two Sr2+, two equivalent Y3+, and two Cu2+ atoms.
DOI: 10.17188/1730633
title: Materials Data on Na2(CrSe2)3 by Materials Project

description: Na2(CrSe2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six Se2- atoms to form distorted NaSe6 octahedra that share corners with six CrSe6 octahedra, edges with three equivalent NaSe6 octahedra, and edges with six CrSe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Na–Se bond lengths are 3.01 Å. There are two inequivalent Cr+3.33+ sites. In the first Cr+3.33+ site, Cr+3.33+ is bonded to six Se2- atoms to form CrSe6 octahedra that share corners with four equivalent NaSe6 octahedra, edges with four equivalent NaSe6 octahedra, and edges with six equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are four shorter (2.54 Å) and two longer (2.55 Å) Cr–Se bond lengths. In the second Cr+3.33+ site, Cr+3.33+ is bonded to six Se2- atoms to form CrSe6 octahedra that share corners with four equivalent NaSe6 octahedra, edges with four equivalent NaSe6 octahedra, and edges with six CrSe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Cr–Se bond lengths are 2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Na1+ and three Cr+3.33+ atoms to form a mixture of edge and corner-sharing SeNa2Cr3 square pyramids. In the second Se2- site, Se2- is bonded to two equivalent Na1+ and three Cr+3.33+ atoms to form a mixture of edge and corner-sharing SeNa2Cr3 square pyramids.
DOI: 10.17188/1730634
title: Materials Data on La2CdSb3 by Materials Project

description: (LaSb)2CdSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one cadmium compounds molecule, one stibium metallicum molecule, and two LaSb clusters. In each LaSb cluster, La3+ is bonded in a single-bond geometry to one Sb+2.67- atom. The La–Sb bond length is 2.73 Å. Sb+2.67- is bonded in a single-bond geometry to one La3+ atom.
DOI: 10.17188/1730636
title: Materials Data on Ni(PO3)4 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: 10.17188/1730637
title: Materials Data on CsK2Pt by Materials Project

description: CsK2Pt crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cs is bonded in a distorted square co-planar geometry to four Pt atoms. All Cs–Pt bond lengths are 3.99 Å. K is bonded in a bent 120 degrees geometry to two equivalent Pt atoms. Both K–Pt bond lengths are 3.31 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a distorted body-centered cubic geometry to four equivalent Cs and four equivalent K atoms. All Pt–K bond lengths are 3.31 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to four equivalent Cs and four equivalent K atoms.
DOI: 10.17188/1730638
title: Materials Data on NdDyZn2 by Materials Project

description: DyNdZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Dy–Zn bond lengths are 3.14 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Nd–Zn bond lengths are 3.14 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Nd atoms.
DOI: 10.17188/1730640
title: Materials Data on Ti2MnZn by Materials Project

description: Ti2MnZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ti2MnZn ribbons oriented in the (0, 1, 0) direction. Ti is bonded in a linear geometry to one Mn and one Zn atom. The Ti–Mn bond length is 2.84 Å. The Ti–Zn bond length is 2.71 Å. Mn is bonded in a linear geometry to two equivalent Ti atoms. Zn is bonded in a linear geometry to two equivalent Ti atoms.
DOI: 10.17188/1730641
title: Materials Data on Rb2NbCuF6 by Materials Project

description: Rb2NbCuF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent NbF6 octahedra, and faces with four equivalent CuF6 octahedra. All Rb–F bond lengths are 3.10 Å. Nb3+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–F bond lengths are 2.12 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent NbF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.26 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Nb3+, and one Cu1+ atom.
DOI: 10.17188/1730642
title: Materials Data on CrO2 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: 10.5281/zenodo.4487981
title: Teacher Characteristics, Knowledge and Use of Evidence-Based Practices in Autism Education in Ireland_Dataset_V1

description: Dataset to accompany the paper "<strong>Teacher Characteristics, Knowledge and Use of Evidence-Based Practices in Autism Education in Ireland". </strong>The purpose of this paper was to identify differences in teachers knowledge and use of evidence-based practices across different teacher characteristics.
description: Lorna Barry, first author for this data set is an Irish Research Council funded scholar, receiving the Government of Ireland Postgraduate Scholarship.
DOI: 10.5281/zenodo.4487980
title: Teacher Characteristics, Knowledge and Use of Evidence-Based Practices in Autism Education in Ireland_Dataset_V1

description: Dataset to accompany the paper "<strong>Teacher Characteristics, Knowledge and Use of Evidence-Based Practices in Autism Education in Ireland". </strong>The purpose of this paper was to identify differences in teachers knowledge and use of evidence-based practices across different teacher characteristics.
description: Lorna Barry, first author for this data set is an Irish Research Council funded scholar, receiving the Government of Ireland Postgraduate Scholarship.
DOI: 10.17188/1730644
title: Materials Data on Y2InAu2 by Materials Project

description: Y2Au2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.95 Å) and four longer (3.05 Å) Y–Au bond lengths. All Y–In bond lengths are 3.51 Å. Au is bonded in a 9-coordinate geometry to six equivalent Y, one Au, and two equivalent In atoms. The Au–Au bond length is 2.91 Å. Both Au–In bond lengths are 3.16 Å. In is bonded to eight equivalent Y and four equivalent Au atoms to form a mixture of corner and face-sharing InY8Au4 cuboctahedra.
DOI: 10.17188/1730645
title: Materials Data on SmFe10Mo2N by Materials Project

description: SmMo2Fe10N crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted linear geometry to four equivalent Fe and two equivalent N atoms. All Sm–Fe bond lengths are 2.89 Å. Both Sm–N bond lengths are 2.25 Å. In the second Sm site, Sm is bonded in a distorted linear geometry to four equivalent Fe and two equivalent N atoms. All Sm–Fe bond lengths are 2.89 Å. Both Sm–N bond lengths are 2.25 Å. Mo is bonded in a 12-coordinate geometry to one Mo and ten Fe atoms. The Mo–Mo bond length is 2.69 Å. There are a spread of Mo–Fe bond distances ranging from 2.50–2.85 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two equivalent Mo, two equivalent Fe, and one N atom. Both Fe–Fe bond lengths are 2.56 Å. The Fe–N bond length is 1.98 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent Mo, two equivalent Fe, and one N atom. Both Fe–Fe bond lengths are 2.36 Å. The Fe–N bond length is 1.92 Å. In the third Fe site, Fe is bonded in a 6-coordinate geometry to one Sm, one Mo, and four Fe atoms. There are one shorter (2.27 Å) and two longer (2.37 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to four equivalent Mo and five Fe atoms. The Fe–Fe bond length is 2.24 Å. N is bonded to two equivalent Sm and four Fe atoms to form corner-sharing NSm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1730646
title: Materials Data on TaCu3(TeSe)2 by Materials Project

description: TaCu3(TeSe)2 is Sulvanite-derived structured and crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Ta5+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form TaTe2Se2 tetrahedra that share edges with six CuTe2Se2 tetrahedra. Both Ta–Te bond lengths are 2.67 Å. Both Ta–Se bond lengths are 2.47 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form CuTe2Se2 tetrahedra that share corners with eight CuTe2Se2 tetrahedra and edges with two equivalent TaTe2Se2 tetrahedra. Both Cu–Te bond lengths are 2.62 Å. Both Cu–Se bond lengths are 2.49 Å. In the second Cu1+ site, Cu1+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form CuTe2Se2 tetrahedra that share corners with eight equivalent CuTe2Se2 tetrahedra and edges with two equivalent TaTe2Se2 tetrahedra. Both Cu–Te bond lengths are 2.61 Å. Both Cu–Se bond lengths are 2.50 Å. Te2- is bonded in a 4-coordinate geometry to one Ta5+ and three Cu1+ atoms. Se2- is bonded to one Ta5+ and three Cu1+ atoms to form a mixture of distorted corner and edge-sharing SeTaCu3 tetrahedra.
DOI: 10.17188/1730647
title: Materials Data on Li3V3(PO4)4 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: 10.17188/1730648
title: Materials Data on Ti5S8 by Materials Project

description: Ti5S8 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Ti5S8 sheet oriented in the (0, 0, 1) direction. there are five inequivalent Ti+3.20+ sites. In the first Ti+3.20+ site, Ti+3.20+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing TiS6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There are a spread of Ti–S bond distances ranging from 2.39–2.57 Å. In the second Ti+3.20+ site, Ti+3.20+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Ti–S bond distances ranging from 2.41–2.52 Å. In the third Ti+3.20+ site, Ti+3.20+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. There are a spread of Ti–S bond distances ranging from 2.41–2.49 Å. In the fourth Ti+3.20+ site, Ti+3.20+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing TiS6 octahedra. The corner-sharing octahedra tilt angles range from 6–7°. There are a spread of Ti–S bond distances ranging from 2.40–2.50 Å. In the fifth Ti+3.20+ site, Ti+3.20+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing TiS6 octahedra. The corner-sharing octahedra tilt angles range from 6–48°. There are a spread of Ti–S bond distances ranging from 2.35–2.54 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three Ti+3.20+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three Ti+3.20+ atoms. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Ti+3.20+ atoms. In the fourth S2- site, S2- is bonded to five Ti+3.20+ atoms to form a mixture of corner and edge-sharing STi5 square pyramids. In the fifth S2- site, S2- is bonded to five Ti+3.20+ atoms to form a mixture of distorted corner and edge-sharing STi5 trigonal bipyramids. In the sixth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Ti+3.20+ atoms. In the seventh S2- site, S2- is bonded in a distorted T-shaped geometry to three Ti+3.20+ atoms. In the eighth S2- site, S2- is bonded in a distorted T-shaped geometry to three Ti+3.20+ atoms.
DOI: 10.17188/1730650
title: Materials Data on NdMgAg by Materials Project

description: NdAgMg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six equivalent Nd and four Ag atoms. There are two shorter (3.44 Å) and four longer (3.54 Å) Mg–Nd bond lengths. There are two shorter (2.87 Å) and two longer (3.03 Å) Mg–Ag bond lengths. Nd is bonded in a 5-coordinate geometry to six equivalent Mg and five Ag atoms. There are four shorter (3.19 Å) and one longer (3.24 Å) Nd–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Nd atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Nd atoms.
DOI: 10.17188/1730651
title: Materials Data on YPbAu2 by Materials Project

description: YAu2Pb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YAu2Pb ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Au atoms. Both Y–Au bond lengths are 2.72 Å. Au is bonded in a linear geometry to one Y and one Pb atom. The Au–Pb bond length is 2.81 Å. Pb is bonded in a linear geometry to two equivalent Au atoms.
DOI: 10.17188/1730652
title: Materials Data on CSN2 by Materials Project

description: CNNS crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and four NS clusters. In each NS cluster, N1- is bonded in a distorted single-bond geometry to one S2- atom. The N–S bond length is 1.48 Å. S2- is bonded in a distorted single-bond geometry to one N1- atom.
DOI: 10.17188/1730653
title: Materials Data on PuWC2 by Materials Project

description: PuWC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pu3+ is bonded to seven C4- atoms to form distorted PuC7 pentagonal bipyramids that share corners with four equivalent PuC7 pentagonal bipyramids, corners with three equivalent WC5 trigonal bipyramids, edges with four equivalent PuC7 pentagonal bipyramids, edges with seven equivalent WC5 trigonal bipyramids, and faces with two equivalent PuC7 pentagonal bipyramids. There are a spread of Pu–C bond distances ranging from 2.44–2.54 Å. W5+ is bonded to five C4- atoms to form WC5 trigonal bipyramids that share corners with three equivalent PuC7 pentagonal bipyramids, corners with four equivalent WC5 trigonal bipyramids, edges with seven equivalent PuC7 pentagonal bipyramids, and edges with two equivalent WC5 trigonal bipyramids. There are a spread of W–C bond distances ranging from 2.08–2.25 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Pu3+ and two equivalent W5+ atoms to form a mixture of corner, edge, and face-sharing CPu4W2 octahedra. The corner-sharing octahedra tilt angles range from 12–59°. In the second C4- site, C4- is bonded to three equivalent Pu3+ and three equivalent W5+ atoms to form a mixture of corner, edge, and face-sharing CPu3W3 octahedra. The corner-sharing octahedra tilt angles range from 12–59°.
DOI: 10.17188/1730654
title: Materials Data on Ti2ZnSnO6 by Materials Project

description: Ti2ZnSnO6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–38°. There are a spread of Ti–O bond distances ranging from 1.97–2.03 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent O2- atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 71°. All Zn–O bond lengths are 2.07 Å. In the second Zn2+ site, Zn2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Zn–O bond lengths are 2.09 Å. Sn2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sn–O bond distances ranging from 2.38–2.77 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+, one Zn2+, and two equivalent Sn2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ti4+ and two equivalent Sn2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+, one Zn2+, and one Sn2+ atom.
DOI: 10.17188/1730656
title: Materials Data on HoB4Os by Materials Project

description: HoOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ho3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ho–B bond distances ranging from 2.64–2.77 Å. Os3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.26–2.41 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Os3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Os3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ho3+, four equivalent Os3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.75 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Os3+, and three B+1.50- atoms.
DOI: 10.17188/1730658
title: Materials Data on Mg5Cd by Materials Project

description: Mg5Cd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Cd atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with eighteen MgMg9Cd3 cuboctahedra, edges with six equivalent CdMg6Cd6 cuboctahedra, edges with twelve MgMg9Cd3 cuboctahedra, faces with six equivalent CdMg6Cd6 cuboctahedra, and faces with fourteen MgMg9Cd3 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.23 Å) Mg–Mg bond lengths. All Mg–Cd bond lengths are 3.19 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent CdMg6Cd6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgMg9Cd3 cuboctahedra, a faceface with one CdMg6Cd6 cuboctahedra, and faces with nineteen MgMg9Cd3 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.22 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg9Cd3 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, and faces with twenty MgMg9Cd3 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.22 Å) Mg–Mg bond lengths. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent CdMg6Cd6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgMg9Cd3 cuboctahedra, a faceface with one CdMg6Cd6 cuboctahedra, and faces with nineteen MgMg9Cd3 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.23 Å) Mg–Mg bond lengths. Cd is bonded to six equivalent Mg and six equivalent Cd atoms to form CdMg6Cd6 cuboctahedra that share corners with six equivalent CdMg6Cd6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with six equivalent CdMg6Cd6 cuboctahedra, edges with twelve equivalent MgMg9Cd3 cuboctahedra, faces with six equivalent CdMg6Cd6 cuboctahedra, and faces with fourteen MgMg9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.15 Å.