cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1739758
title: Materials Data on Ba2ZnTeO6 by Materials Project

description: Ba2ZnTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent ZnO6 octahedra, and faces with four equivalent TeO6 octahedra. All Ba–O bond lengths are 2.92 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent TeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 2.16 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.97 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Zn2+, and one Te6+ atom.
DOI: 10.17188/1739759
title: Materials Data on MgMn2As2(PbO9)2 by Materials Project

description: MgMn2As2(PbO9)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.91–2.59 Å. Mn is bonded to six O atoms to form MnO6 octahedra that share corners with two equivalent AsO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–1.98 Å. Pb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pb–O bond distances ranging from 2.06–2.61 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There are a spread of As–O bond distances ranging from 1.70–1.78 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Mn, one Pb, and one As atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Mn, one Pb, and one As atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn and one Pb atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn and one Pb atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one Pb atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Mg and one O atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Pb and one As atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one Pb and one As atom.
DOI: 10.17188/1739760
title: Materials Data on Pr2MgAl by Materials Project

description: MgPr2Al 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 Pr atoms. All Mg–Pr bond lengths are 3.31 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Pr–Al bond lengths are 3.31 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1739761
title: Materials Data on Ho3PbC by Materials Project

description: Ho3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Ho–Pb bond lengths are 3.46 Å. Both Ho–C bond lengths are 2.44 Å. Pb is bonded to twelve equivalent Ho atoms to form PbHo12 cuboctahedra that share corners with twelve equivalent PbHo12 cuboctahedra, faces with six equivalent PbHo12 cuboctahedra, and faces with eight equivalent CHo6 octahedra. C is bonded to six equivalent Ho atoms to form CHo6 octahedra that share corners with six equivalent CHo6 octahedra and faces with eight equivalent PbHo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1739762
title: Materials Data on EuS2 by Materials Project

description: EuS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Eu–S bond distances ranging from 2.84–3.14 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Eu3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.76 Å. In the second S+1.50- site, S+1.50- is bonded to five equivalent Eu3+ atoms to form a mixture of distorted corner and edge-sharing SEu5 trigonal bipyramids.
DOI: 10.17188/1739763
title: Materials Data on Al2TcAu by Materials Project

description: TcAuAl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TcAuAl2 ribbons oriented in the (1, 0, 0) direction. Tc is bonded in a linear geometry to two equivalent Al atoms. Both Tc–Al bond lengths are 2.44 Å. Au is bonded in a linear geometry to two equivalent Al atoms. Both Au–Al bond lengths are 2.48 Å. Al is bonded in a linear geometry to one Tc and one Au atom.
DOI: 10.17188/1739764
title: Materials Data on LaYMg6 by Materials Project

description: Mg6LaY crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg, three equivalent La, and one Y atom. There are three shorter (3.20 Å) and one longer (3.28 Å) Mg–Mg bond lengths. All Mg–La bond lengths are 3.22 Å. The Mg–Y bond length is 3.18 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg, one La, and three equivalent Y atoms. There are one shorter (3.17 Å) and three longer (3.21 Å) Mg–Mg bond lengths. The Mg–La bond length is 3.25 Å. All Mg–Y bond lengths are 3.20 Å. In the third Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg, one La, and three equivalent Y atoms. There are one shorter (3.17 Å) and three longer (3.21 Å) Mg–Mg bond lengths. The Mg–La bond length is 3.25 Å. All Mg–Y bond lengths are 3.20 Å. In the fourth Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg, three equivalent La, and one Y atom. There are three shorter (3.20 Å) and one longer (3.28 Å) Mg–Mg bond lengths. All Mg–La bond lengths are 3.22 Å. The Mg–Y bond length is 3.18 Å. In the fifth Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg, three equivalent La, and three equivalent Y atoms. All Mg–La bond lengths are 3.72 Å. All Mg–Y bond lengths are 3.69 Å. In the sixth Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg, one La, and three equivalent Y atoms. There are one shorter (3.17 Å) and three longer (3.21 Å) Mg–Mg bond lengths. The Mg–La bond length is 3.25 Å. All Mg–Y bond lengths are 3.20 Å. La is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms. Y is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.
DOI: 10.17188/1739765
title: Materials Data on Cu2SnS3 by Materials Project

description: Cu2SnS3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with five equivalent SnS4 tetrahedra and corners with seven equivalent CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with two equivalent SnS4 tetrahedra and corners with ten equivalent CuS4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.55 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+ and two equivalent Sn4+ atoms to form corner-sharing SCu2Sn2 tetrahedra. In the second S2- site, S2- is bonded to three equivalent Cu1+ and one Sn4+ atom to form corner-sharing SCu3Sn tetrahedra.
DOI: 10.17188/1739766
title: Materials Data on Li16Mn15(CuO12)3 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: 10.17188/1739767
title: Materials Data on TiV by Materials Project

description: TiV crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent V atoms. All Ti–Ti bond lengths are 2.70 Å. All Ti–V bond lengths are 2.71 Å. V is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent V atoms. All V–V bond lengths are 2.70 Å.
DOI: 10.17188/1739768
title: Materials Data on MgSi by Materials Project

description: MgSi crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg and six Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.88–3.27 Å. There are a spread of Mg–Si bond distances ranging from 2.70–3.29 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Mg and nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.83–3.09 Å. In the third Mg site, Mg is bonded in a 11-coordinate geometry to four equivalent Mg and six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.06 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.41–2.67 Å. In the second Si site, Si is bonded in a 1-coordinate geometry to five Mg and four Si atoms. The Si–Si bond length is 2.46 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Mg and one Si atom. The Si–Si bond length is 2.48 Å.
DOI: 10.17188/1739769
title: Materials Data on Al(SiO3)2 by Materials Project

description: Al(SiO3)2 is Low Tridymite-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.
DOI: 10.17188/1739770
title: Materials Data on Dy3Pt4 by Materials Project

description: Dy3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Dy–Pt bond distances ranging from 2.86–3.35 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Dy atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Dy atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Dy and three equivalent Pt atoms. There are one shorter (2.91 Å) and two longer (2.96 Å) Pt–Pt bond lengths.
DOI: 10.17188/1739771
title: Materials Data on K10MnMo7O27 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: 10.17188/1739772
title: Materials Data on ZrInCuS4 by Materials Project

description: ZrCuInS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Zr4+ is bonded to six S2- atoms to form ZrS6 octahedra that share corners with six equivalent CuS4 tetrahedra, edges with two equivalent ZrS6 octahedra, and edges with four equivalent InS6 octahedra. There are four shorter (2.58 Å) and two longer (2.61 Å) Zr–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six equivalent ZrS6 octahedra and corners with six equivalent InS6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. All Cu–S bond lengths are 2.33 Å. In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with six equivalent CuS4 tetrahedra, edges with two equivalent InS6 octahedra, and edges with four equivalent ZrS6 octahedra. There are four shorter (2.61 Å) and two longer (2.74 Å) In–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Zr4+, one Cu1+, and one In3+ atom. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Zr4+, one Cu1+, and two equivalent In3+ atoms.
DOI: 10.5517/ccdc.csd.cc2310qx
title: CCDC 1937398: Experimental Crystal Structure Determination

description: Related Article: Shangqing Xie, Yanhong Dong, Xinyu Du, Qingqing Fan, Haiquan Yang, Xiaoyan Li, Hongjian Sun, Olaf Fuhr, Dieter Fenske|2021|Organometallics|40|286|doi:10.1021/acs.organomet.0c00766
DOI: 10.17188/1739773
title: Materials Data on CsBi2Br7 by Materials Project

description: CsBi2Br7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve Br1- atoms to form distorted CsBr12 cuboctahedra that share corners with two equivalent CsBr12 cuboctahedra, corners with four BiBr6 octahedra, edges with three equivalent CsBr12 cuboctahedra, edges with three BiBr6 octahedra, a faceface with one CsBr12 cuboctahedra, and faces with three BiBr6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. There are a spread of Cs–Br bond distances ranging from 3.90–4.29 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Br1- atoms to form BiBr6 octahedra that share a cornercorner with one CsBr12 cuboctahedra, corners with three equivalent BiBr6 octahedra, edges with two equivalent CsBr12 cuboctahedra, an edgeedge with one BiBr6 octahedra, and faces with two equivalent CsBr12 cuboctahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Bi–Br bond distances ranging from 2.67–3.18 Å. In the second Bi3+ site, Bi3+ is bonded to six Br1- atoms to form BiBr6 octahedra that share corners with three equivalent CsBr12 cuboctahedra, corners with three equivalent BiBr6 octahedra, an edgeedge with one CsBr12 cuboctahedra, an edgeedge with one BiBr6 octahedra, and a faceface with one CsBr12 cuboctahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Bi–Br bond distances ranging from 2.67–3.17 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Bi3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to one Cs1+ and two Bi3+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two Bi3+ atoms. In the fourth Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent Bi3+ atoms. In the fifth Br1- site, Br1- is bonded in a 2-coordinate geometry to one Cs1+ and two Bi3+ atoms. In the sixth Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Bi3+ atom. In the seventh Br1- site, Br1- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Bi3+ atoms.
DOI: 10.17188/1739774
title: Materials Data on LiFeF4 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: 10.5517/ccdc.csd.cc23xm1q
title: CCDC 1963913: Experimental Crystal Structure Determination

description: Related Article: Orhi Esarte Palomero, Ashley L. Cunningham, Bryan W. Davies, Richard A. Jones|2021|Inorg.Chim.Acta|517|120152|doi:10.1016/j.ica.2020.120152
DOI: 10.17188/1739775
title: Materials Data on RbNaMg6O7 by Materials Project

description: RbNaMg6O7 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.67 Å) and one longer (3.30 Å) Rb–O bond lengths. Na1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.18 Å. There are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with four equivalent MgO5 square pyramids, edges with four equivalent MgO6 octahedra, and edges with four equivalent MgO5 square pyramids. There are one shorter (2.12 Å) and four longer (2.13 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent MgO6 octahedra and edges with eight MgO5 square pyramids. The corner-sharing octahedral tilt angles are 5°. There are a spread of Mg–O bond distances ranging from 2.00–2.32 Å. In the third Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 1.89–2.54 Å. In the fourth Mg2+ site, Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with four equivalent MgO5 square pyramids, edges with two equivalent MgO6 octahedra, and edges with six MgO5 square pyramids. There are one shorter (2.09 Å) and four longer (2.13 Å) Mg–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to five Mg2+ atoms to form OMg5 square pyramids that share corners with four equivalent OMg5 square pyramids and edges with eight ORbMg5 octahedra. In the second O2- site, O2- is bonded to five Mg2+ atoms to form distorted OMg5 square pyramids that share a cornercorner with one ORbMg5 octahedra, corners with four equivalent OMg5 square pyramids, and edges with four equivalent OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to one Rb1+ and five Mg2+ atoms to form distorted ORbMg5 octahedra that share corners with four equivalent ORbMg5 octahedra, a cornercorner with one OMg5 square pyramid, edges with four equivalent OMg6 octahedra, and edges with four equivalent OMg5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Na1+, and one Mg2+ atom. In the fifth O2- site, O2- is bonded to six Mg2+ atoms to form OMg6 octahedra that share corners with four equivalent OMg6 octahedra, edges with six ORbMg5 octahedra, and edges with four OMg5 square pyramids. The corner-sharing octahedra tilt angles range from 4–5°.
DOI: 10.5517/ccdc.csd.cc23xm2r
title: CCDC 1963914: Experimental Crystal Structure Determination

description: Related Article: Orhi Esarte Palomero, Ashley L. Cunningham, Bryan W. Davies, Richard A. Jones|2021|Inorg.Chim.Acta|517|120152|doi:10.1016/j.ica.2020.120152
DOI: 10.5517/ccdc.csd.cc23xm3s
title: CCDC 1963915: Experimental Crystal Structure Determination

description: Related Article: Orhi Esarte Palomero, Ashley L. Cunningham, Bryan W. Davies, Richard A. Jones|2021|Inorg.Chim.Acta|517|120152|doi:10.1016/j.ica.2020.120152
DOI: 10.17188/1739776
title: Materials Data on YMg5 by Materials Project

description: Mg5Y 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 Y atoms to form distorted MgY2Mg10 cuboctahedra that share corners with eighteen MgY2Mg10 cuboctahedra, edges with six equivalent YY2Mg10 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with three equivalent YY2Mg10 cuboctahedra, and faces with seventeen MgY2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.49 Å. Both Mg–Y bond lengths are 3.26 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Y atoms to form MgY3Mg9 cuboctahedra that share corners with eighteen MgY2Mg10 cuboctahedra, edges with two equivalent YY2Mg10 cuboctahedra, edges with sixteen MgY2Mg10 cuboctahedra, faces with five equivalent YY2Mg10 cuboctahedra, and faces with fifteen MgY2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.31 Å. There are two shorter (3.36 Å) and one longer (3.38 Å) Mg–Y bond lengths. In the third Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with three equivalent YY2Mg10 cuboctahedra, edges with fifteen MgY2Mg10 cuboctahedra, faces with three equivalent YY2Mg10 cuboctahedra, and faces with seventeen MgY2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.37 Å. Both Mg–Y bond lengths are 3.36 Å. In the fourth Mg site, Mg is bonded to eleven Mg and one Y atom to form MgYMg11 cuboctahedra that share corners with eighteen MgY2Mg10 cuboctahedra, edges with four equivalent YY2Mg10 cuboctahedra, edges with fourteen MgY2Mg10 cuboctahedra, faces with four equivalent YY2Mg10 cuboctahedra, and faces with sixteen MgY2Mg10 cuboctahedra. There are two shorter (3.22 Å) and two longer (3.24 Å) Mg–Mg bond lengths. The Mg–Y bond length is 3.25 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form distorted MgY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with three equivalent YY2Mg10 cuboctahedra, edges with fifteen MgY2Mg10 cuboctahedra, faces with three equivalent YY2Mg10 cuboctahedra, and faces with seventeen MgY2Mg10 cuboctahedra. Both Mg–Mg bond lengths are 3.24 Å. Both Mg–Y bond lengths are 3.30 Å. Y is bonded to ten Mg and two equivalent Y atoms to form YY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with eighteen MgY2Mg10 cuboctahedra, faces with two equivalent YY2Mg10 cuboctahedra, and faces with eighteen MgY2Mg10 cuboctahedra. Both Y–Y bond lengths are 3.24 Å.