cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1723752
title: Materials Data on Rb2Be2Cd(O3F4)2 by Materials Project

description: Rb2Be2Cd(O3F4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to two O and six F atoms. There are one shorter (3.02 Å) and one longer (3.14 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.78–3.10 Å. Be is bonded in a tetrahedral geometry to four F atoms. There are a spread of Be–F bond distances ranging from 1.53–1.63 Å. Cd is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Cd–O bond distances ranging from 2.16–2.41 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb and one Cd atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one Cd atom. In the third O site, O is bonded in a single-bond geometry to one Cd atom. There are four inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to two equivalent Rb and one Be atom. In the second F site, F is bonded in a distorted single-bond geometry to one Rb and one Be atom. In the third F site, F is bonded in a single-bond geometry to two equivalent Rb and one Be atom. In the fourth F site, F is bonded in a distorted single-bond geometry to one Rb and one Be atom.
DOI: 10.17188/1723753
title: Materials Data on LiB3 by Materials Project

description: LiB3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li is bonded in a 10-coordinate geometry to two equivalent Li and eight equivalent B atoms. There are one shorter (2.08 Å) and one longer (2.28 Å) Li–Li bond lengths. All Li–B bond lengths are 2.46 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Li and five B atoms. There are a spread of B–B bond distances ranging from 1.68–1.79 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. The B–B bond length is 1.75 Å.
DOI: 10.17188/1723756
title: Materials Data on CaYCd2 by Materials Project

description: CaYCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ca–Cd bond lengths are 3.28 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Y–Cd bond lengths are 3.28 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Y atoms.
DOI: 10.17188/1723757
title: Materials Data on Li4Mn3V2Sb3O16 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: 10.17188/1723758
title: Materials Data on SmAl3(BO3)4 by Materials Project

description: SmAl3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Sm3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sm–O bond lengths are 2.38 Å. Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–1.96 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+, one Al3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one B3+ atom.
DOI: 10.17188/1723759
title: Materials Data on YCo2(B2Rh)2 by Materials Project

description: YCo2(RhB2)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. Y3+ is bonded in a 12-coordinate geometry to twelve B3- atoms. There are a spread of Y–B bond distances ranging from 2.95–3.09 Å. Rh3+ is bonded to five B3- atoms to form distorted RhB5 trigonal bipyramids that share corners with four equivalent RhB5 trigonal bipyramids, corners with four equivalent CoB5 trigonal bipyramids, edges with two equivalent RhB5 trigonal bipyramids, and edges with four equivalent CoB5 trigonal bipyramids. There are three shorter (2.18 Å) and two longer (2.20 Å) Rh–B bond lengths. Co+1.50+ is bonded to five B3- atoms to form distorted CoB5 trigonal bipyramids that share corners with four equivalent RhB5 trigonal bipyramids, corners with four equivalent CoB5 trigonal bipyramids, edges with two equivalent CoB5 trigonal bipyramids, and edges with four equivalent RhB5 trigonal bipyramids. There are a spread of Co–B bond distances ranging from 2.10–2.20 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 6-coordinate geometry to three equivalent Y3+, two equivalent Rh3+, three equivalent Co+1.50+, and one B3- atom. The B–B bond length is 1.71 Å. In the second B3- site, B3- is bonded in a 6-coordinate geometry to three equivalent Y3+, three equivalent Rh3+, two equivalent Co+1.50+, and one B3- atom. The B–B bond length is 1.92 Å.
DOI: 10.17188/1723760
title: Materials Data on SrCa7Ti2Mn6O20 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: 10.17188/1723761
title: Materials Data on YCuSi2Ni by Materials Project

description: YNiCuSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Y3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Y–Si bond lengths are 3.06 Å. Ni4+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with four equivalent NiSi4 tetrahedra and edges with four equivalent CuSi4 tetrahedra. All Ni–Si bond lengths are 2.35 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent CuSi4 tetrahedra and edges with four equivalent NiSi4 tetrahedra. All Cu–Si bond lengths are 2.35 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Ni4+, two equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.39 Å.
DOI: 10.17188/1723762
title: Materials Data on LiNiP2O7 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: 10.17188/1723763
title: Materials Data on Li4V3Fe2Ni3O16 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: 10.17188/1723764
title: Materials Data on Ge7N2O15 by Materials Project

description: Ge7O15N2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight ammonia molecules and one Ge7O15 framework. In the Ge7O15 framework, there are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO6 octahedra and corners with three GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ge–O bond distances ranging from 1.77–1.79 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO6 octahedra and corners with three GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There is two shorter (1.77 Å) and two longer (1.78 Å) Ge–O bond length. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO6 octahedra and corners with three GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There is one shorter (1.76 Å) and three longer (1.78 Å) Ge–O bond length. In the fourth Ge4+ site, Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.89–1.92 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms.
DOI: 10.17188/1723765
title: Materials Data on Zn(NCl2)2 by Materials Project

description: (ZnCl2)7ZnNCl4(N2)2(NCl)8(NCl2)3 crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of eight ammonia molecules, sixteen chloramine molecules, six dichloramine molecules, two ZnNCl4 clusters, and fourteen zinc chloride molecules. In each ZnNCl4 cluster, Zn2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are two shorter (2.11 Å) and one longer (3.15 Å) Zn–Cl bond lengths. N1+ is bonded in a water-like geometry to two Cl1- atoms. There is one shorter (1.69 Å) and one longer (1.72 Å) N–Cl bond length. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Zn2+ and one N1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.
DOI: 10.17188/1723766
title: Materials Data on NdFeO3 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: 10.17188/1723767
title: Materials Data on CrSn(PO4)2 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: 10.17188/1723769
title: Materials Data on SrMgFe(PO4)2 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: 10.17188/1723770
title: Materials Data on U2Hg5(AsO9)2 by Materials Project

description: U2Hg5(AsO9)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent AsO4 tetrahedra and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of U–O bond distances ranging from 1.83–2.40 Å. There are three inequivalent Hg sites. In the first Hg site, Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.00 Å. In the second Hg site, Hg is bonded in a distorted linear geometry to two O atoms. There are one shorter (2.04 Å) and one longer (2.05 Å) Hg–O bond lengths. In the third Hg site, Hg is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.66 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids. There are a spread of As–O bond distances ranging from 1.71–1.76 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one U and one As atom. In the third O site, O is bonded in a 1-coordinate geometry to one U, one Hg, and one As atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Hg and one As atom. In the fifth O site, O is bonded in a 2-coordinate geometry to two Hg atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Hg atoms. In the seventh O site, O is bonded in a trigonal planar geometry to two equivalent U and one Hg atom. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a single-bond geometry to one U atom.
DOI: 10.17188/1723771
title: Materials Data on MgO 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: 10.17188/1723772
title: Materials Data on Na5(AsO9)2 by Materials Project

description: Na5(AsO8)2O2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules and one Na5(AsO8)2 framework. In the Na5(AsO8)2 framework, there are three inequivalent Na sites. In the first Na site, Na is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.37 Å) and two longer (2.60 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.27–2.84 Å. In the third Na site, Na is bonded in a 3-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.23–3.00 Å. As is bonded to four O atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.69–1.88 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to two equivalent Na and two equivalent O atoms. Both O–O bond lengths are 1.86 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.26 Å. In the third O site, O is bonded in a distorted T-shaped geometry to two Na and one As atom. In the fourth O site, O is bonded in a single-bond geometry to one As atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one As atom. In the sixth O site, O is bonded in a water-like geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the seventh O site, O is bonded in a 2-coordinate geometry to two Na and two O atoms. In the eighth O site, O is bonded in a distorted trigonal pyramidal geometry to two equivalent Na and two equivalent As atoms. In the ninth O site, O is bonded in a 4-coordinate geometry to three Na and one O atom. The O–O bond length is 1.27 Å.
DOI: 10.17188/1723773
title: Materials Data on Li3Fe2(CO3)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: 10.17188/1723774
title: Materials Data on TmVO3 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: 10.17188/1723775
title: Materials Data on Sm3(CuSn)4 by Materials Project

description: Sm3Cu4Sn4 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 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are four shorter (3.18 Å) and two longer (3.21 Å) Sm–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.30 Å) Sm–Sn bond lengths. In the second Sm site, Sm is bonded to six Sn atoms to form distorted edge-sharing SmSn6 octahedra. There are four shorter (3.07 Å) and two longer (3.20 Å) Sm–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Sm, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.60 Å. There are a spread of Cu–Sn bond distances ranging from 2.63–2.76 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Sm and six equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Sm, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.80 Å.
DOI: 10.17188/1723776
title: Materials Data on NdP2 by Materials Project

description: NdP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine P+1.50- atoms. There are a spread of Nd–P bond distances ranging from 2.91–3.16 Å. There are two inequivalent P+1.50- sites. In the first P+1.50- site, P+1.50- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two P+1.50- atoms. There are one shorter (2.23 Å) and one longer (2.27 Å) P–P bond lengths. In the second P+1.50- site, P+1.50- is bonded to five equivalent Nd3+ and one P+1.50- atom to form a mixture of distorted edge and corner-sharing PNd5P pentagonal pyramids.
DOI: 10.17188/1723778
title: Materials Data on LaNdAl6 by Materials Project

description: NdLaAl6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve Al atoms. There are six shorter (3.17 Å) and six longer (3.34 Å) Nd–Al bond lengths. La is bonded in a 12-coordinate geometry to twelve Al atoms. There are six shorter (3.18 Å) and six longer (3.34 Å) La–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent La, and six Al atoms. There are four shorter (2.78 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent La, and six Al atoms. Both Al–Al bond lengths are 2.79 Å.
DOI: 10.17188/1723779
title: Materials Data on LaCoO3 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: 10.17188/1723780
title: Materials Data on PrZnGe by Materials Project

description: PrZnGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of face and edge-sharing PrZn6Ge6 cuboctahedra. All Pr–Zn bond lengths are 3.13 Å. All Pr–Ge bond lengths are 3.34 Å. In the second Pr site, Pr is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of distorted face and edge-sharing PrZn6Ge6 cuboctahedra. All Pr–Zn bond lengths are 3.40 Å. All Pr–Ge bond lengths are 3.19 Å. Zn is bonded in a 3-coordinate geometry to six Pr and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.51 Å. Ge is bonded in a 3-coordinate geometry to six Pr and three equivalent Zn atoms.
DOI: 10.17188/1723781
title: Materials Data on FeP2W by Materials Project

description: WFeP2 is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. W3+ is bonded to six P3- atoms to form distorted WP6 octahedra that share corners with four equivalent WP6 octahedra, corners with eight equivalent FeP6 octahedra, edges with two equivalent WP6 octahedra, edges with four equivalent FeP6 octahedra, and faces with two equivalent WP6 octahedra. The corner-sharing octahedra tilt angles range from 45–63°. There are a spread of W–P bond distances ranging from 2.44–2.59 Å. Fe3+ is bonded to six P3- atoms to form distorted FeP6 octahedra that share corners with four equivalent FeP6 octahedra, corners with eight equivalent WP6 octahedra, edges with two equivalent FeP6 octahedra, edges with four equivalent WP6 octahedra, and faces with two equivalent FeP6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Fe–P bond distances ranging from 2.25–2.41 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to four equivalent W3+ and two equivalent Fe3+ atoms. In the second P3- site, P3- is bonded in a 8-coordinate geometry to two equivalent W3+ and four equivalent Fe3+ atoms.
DOI: 10.17188/1723782
title: Materials Data on NaMg6Mo by Materials Project

description: NaMg6Mo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Na is bonded to twelve Mg atoms to form NaMg12 cuboctahedra that share corners with four equivalent NaMg12 cuboctahedra, corners with eight equivalent MoMg12 cuboctahedra, edges with eight equivalent MgNa2Mg8Mo2 cuboctahedra, faces with two equivalent NaMg12 cuboctahedra, faces with four equivalent MgNa2Mg8Mo2 cuboctahedra, and faces with four equivalent MoMg12 cuboctahedra. There are a spread of Na–Mg bond distances ranging from 3.13–3.30 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Na, eight Mg, and two equivalent Mo atoms to form distorted MgNa2Mg8Mo2 cuboctahedra that share corners with twelve equivalent MgNa2Mg8Mo2 cuboctahedra, edges with four equivalent NaMg12 cuboctahedra, edges with four equivalent MoMg12 cuboctahedra, faces with two equivalent NaMg12 cuboctahedra, faces with two equivalent MoMg12 cuboctahedra, and faces with six equivalent MgNa2Mg8Mo2 cuboctahedra. There are two shorter (3.09 Å) and six longer (3.12 Å) Mg–Mg bond lengths. There are one shorter (3.13 Å) and one longer (3.15 Å) Mg–Mo bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Na, eight Mg, and two equivalent Mo atoms. There are two shorter (2.87 Å) and two longer (3.41 Å) Mg–Mg bond lengths. Both Mg–Mo bond lengths are 2.98 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Na, eight Mg, and two equivalent Mo atoms. Both Mg–Mo bond lengths are 2.96 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Na, eight Mg, and two equivalent Mo atoms. Both Mg–Mo bond lengths are 2.97 Å. Mo is bonded to twelve Mg atoms to form MoMg12 cuboctahedra that share corners with four equivalent MoMg12 cuboctahedra, corners with eight equivalent NaMg12 cuboctahedra, edges with eight equivalent MgNa2Mg8Mo2 cuboctahedra, faces with two equivalent MoMg12 cuboctahedra, faces with four equivalent NaMg12 cuboctahedra, and faces with four equivalent MgNa2Mg8Mo2 cuboctahedra.