cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1666607
title: Materials Data on Mg(C2O3)2 by Materials Project

description: Mg(CO3)2(C)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four ethyne molecules and two Mg(CO3)2 sheets oriented in the (1, 0, 0) direction. In each Mg(CO3)2 sheet, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.16 Å. C+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one C+2.50+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C+2.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom.
DOI: 10.17188/1666608
title: Materials Data on BaMg6B by Materials Project

description: BaMg6B crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to ten Mg and two equivalent B atoms. There are a spread of Ba–Mg bond distances ranging from 3.41–4.06 Å. Both Ba–B bond lengths are 3.55 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a single-bond geometry to four Mg and one B atom. There are two shorter (2.99 Å) and two longer (3.47 Å) Mg–Mg bond lengths. The Mg–B bond length is 2.40 Å. In the second Mg site, Mg is bonded in a distorted bent 120 degrees geometry to two equivalent Ba, one Mg, and two equivalent B atoms. The Mg–Mg bond length is 3.27 Å. Both Mg–B bond lengths are 2.73 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba and eight Mg atoms. Both Mg–Mg bond lengths are 3.14 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Ba and six Mg atoms. B is bonded in a 6-coordinate geometry to two equivalent Ba and six Mg atoms.
DOI: 10.17188/1666609
title: Materials Data on Ba2MnP2F by Materials Project

description: Ba2MnP2F crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ba2MnP2F ribbon oriented in the (0, 0, 1) direction. Ba2+ is bonded in a distorted linear geometry to one P+2.50- and one F1- atom. The Ba–P bond length is 3.04 Å. The Ba–F bond length is 2.47 Å. Mn2+ is bonded in a linear geometry to two equivalent P+2.50- atoms. Both Mn–P bond lengths are 2.34 Å. P+2.50- is bonded in a linear geometry to one Ba2+ and one Mn2+ atom. F1- is bonded in a linear geometry to two equivalent Ba2+ atoms.
DOI: 10.17188/1666611
title: Materials Data on Li3Fe2P2(CO7)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: 10.17188/1666612
title: Materials Data on CeNd4Zr3O14 by Materials Project

description: Nd4CeZr3O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to eight O2- atoms to form distorted NdO8 hexagonal bipyramids that share edges with six equivalent ZrO6 octahedra. There are two shorter (2.32 Å) and six longer (2.64 Å) Nd–O bond lengths. In the second Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.70 Å. Ce4+ is bonded to six equivalent O2- atoms to form distorted CeO6 octahedra that share corners with six equivalent ZrO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ce–O bond lengths are 2.24 Å. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent ZrO6 octahedra, and edges with two equivalent NdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 48–58°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Nd3+ atoms to form ONd4 tetrahedra that share corners with ten ONd4 tetrahedra and edges with three equivalent OCeNd2Zr tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Nd3+ and two equivalent Zr4+ atoms. In the third O2- site, O2- is bonded to two equivalent Nd3+, one Ce4+, and one Zr4+ atom to form a mixture of distorted edge and corner-sharing OCeNd2Zr tetrahedra.
DOI: 10.17188/1666614
title: Materials Data on LiOsN2 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: 10.17188/1666615
title: Materials Data on YSeClO3 by Materials Project

description: YSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of edge and corner-sharing YCl2O5 pentagonal bipyramids. There are a spread of Y–O bond distances ranging from 2.23–2.39 Å. There are one shorter (2.74 Å) and one longer (2.76 Å) Y–Cl bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.76 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Y3+ atoms.
DOI: 10.17188/1666616
title: Materials Data on Tm3Th by Materials Project

description: ThTm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Tm atoms to form ThTm12 cuboctahedra that share corners with six equivalent ThTm12 cuboctahedra, corners with twelve equivalent TmTm8Th4 cuboctahedra, edges with eighteen equivalent TmTm8Th4 cuboctahedra, faces with eight equivalent ThTm12 cuboctahedra, and faces with twelve equivalent TmTm8Th4 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.54 Å) Th–Tm bond lengths. Tm is bonded to four equivalent Th and eight equivalent Tm atoms to form TmTm8Th4 cuboctahedra that share corners with four equivalent ThTm12 cuboctahedra, corners with fourteen equivalent TmTm8Th4 cuboctahedra, edges with six equivalent ThTm12 cuboctahedra, edges with twelve equivalent TmTm8Th4 cuboctahedra, faces with four equivalent ThTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Th4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.52–3.55 Å.
DOI: 10.17188/1666617
title: Materials Data on PtBr3N2 by Materials Project

description: Pt(NBr)2Pt(NBr2)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Pt(NBr)2 clusters and two Pt(NBr2)2 clusters. In each Pt(NBr)2 cluster, Pt5+ is bonded in a distorted trigonal planar geometry to two N1- and one Br1- atom. There is one shorter (1.71 Å) and one longer (1.84 Å) Pt–N bond length. The Pt–Br bond length is 2.41 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. In the second N1- site, N1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Br1- atom. The N–Br bond length is 1.77 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one N1- atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Pt5+ atom. In each Pt(NBr2)2 cluster, Pt5+ is bonded in a distorted octahedral geometry to two N1- and four Br1- atoms. There is one shorter (1.85 Å) and one longer (2.03 Å) Pt–N bond length. There are a spread of Pt–Br bond distances ranging from 2.48–2.54 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. In the second N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom.
DOI: 10.17188/1666618
title: Materials Data on TbFe5P3 by Materials Project

description: TbFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to ten Fe and six P atoms. There are a spread of Tb–Fe bond distances ranging from 2.94–3.12 Å. There are a spread of Tb–P bond distances ranging from 2.80–2.89 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.26–2.54 Å. In the second Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.26–2.32 Å. In the third Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.21–2.35 Å. In the fourth Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.33 Å) Fe–P bond lengths. In the fifth Fe site, Fe is bonded to one Tb and four P atoms to form distorted FeTbP4 tetrahedra that share corners with nine FeTb3P4 tetrahedra, edges with five FeTbP4 tetrahedra, and faces with two equivalent FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.16–2.25 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Fe atoms.
DOI: 10.17188/1666619
title: Materials Data on KRb3 by Materials Project

description: Rb3K crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to eight equivalent Rb and four equivalent K atoms. There are a spread of Rb–Rb bond distances ranging from 4.94–5.11 Å. There are two shorter (4.89 Å) and two longer (5.04 Å) Rb–K bond lengths. K is bonded in a 12-coordinate geometry to twelve equivalent Rb atoms.
DOI: 10.17188/1666620
title: Materials Data on TbErIr2 by Materials Project

description: ErTbIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Er–Ir bond lengths are 2.96 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Tb atoms.
DOI: 10.17188/1666621
title: Materials Data on ZnNi(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: 10.17188/1666622
title: Materials Data on ThTeSO7 by Materials Project

description: ThTeSO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one ThTeSO7 sheet oriented in the (0, 0, 1) direction. Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.20–2.69 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–1.93 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Th4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one S6+ atom.
DOI: 10.17188/1666623
title: Materials Data on BaLaMnRuO6 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: 10.17188/1666624
title: Materials Data on CaLaCrFeO6 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: 10.17188/1666625
title: Materials Data on K2Mo(CO4)2 by Materials Project

description: K2Mo(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.37 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.43 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.25 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.29 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one O2- atom. The O–O bond length is 1.24 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Mo6+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Mo6+, and one C4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Mo6+, and one C4+ atom.
DOI: 10.17188/1666626
title: Materials Data on ZrSiOs by Materials Project

description: ZrOsSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr3+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent OsSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent OsSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.81–2.89 Å. Os1+ is bonded to four equivalent Si4- atoms to form OsSi4 tetrahedra that share corners with eight equivalent OsSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent OsSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Os–Si bond distances ranging from 2.46–2.53 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr3+ and four equivalent Os1+ atoms.
DOI: 10.17188/1666627
title: Materials Data on PtO2 by Materials Project

description: PtO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two shorter (2.01 Å) and four longer (2.04 Å) Pt–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Pt4+ atoms.
DOI: 10.17188/1666628
title: Materials Data on SrFeNi2(PO4)3 by Materials Project

description: SrFeNi2(PO4)3 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.67 Å) and four longer (2.69 Å) Sr–O bond lengths. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent NiO6 octahedra and corners with six PO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are four shorter (1.99 Å) and two longer (2.10 Å) Fe–O bond lengths. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four PO4 tetrahedra, an edgeedge with one NiO6 octahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are four shorter (2.08 Å) and two longer (2.12 Å) Ni–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent FeO6 octahedra, corners with two equivalent NiO6 octahedra, and an edgeedge with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There is two shorter (1.53 Å) and two longer (1.59 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two equivalent Ni2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Ni2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe3+, one Ni2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Fe3+, and one P5+ atom.
DOI: 10.17188/1666629
title: Materials Data on LiAg2(NO2)3 by Materials Project

description: LiAg2(NO2)3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.10–2.22 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.45–2.59 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted single-bond geometry to one O2- atom. The Ag–O bond length is 2.41 Å. There are three inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. In the second N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. In the third N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+2.33+ atom.
DOI: 10.17188/1666631
title: Materials Data on TaIr3 by Materials Project

description: Ir3Ta is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to twelve Ir atoms to form TaIr12 cuboctahedra that share corners with six equivalent TaIr12 cuboctahedra, corners with twelve IrTa4Ir8 cuboctahedra, edges with eighteen IrTa4Ir8 cuboctahedra, faces with eight equivalent TaIr12 cuboctahedra, and faces with twelve IrTa4Ir8 cuboctahedra. There are six shorter (2.78 Å) and six longer (2.79 Å) Ta–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ta and eight Ir atoms to form distorted IrTa4Ir8 cuboctahedra that share corners with four equivalent TaIr12 cuboctahedra, corners with fourteen IrTa4Ir8 cuboctahedra, edges with six equivalent TaIr12 cuboctahedra, edges with twelve IrTa4Ir8 cuboctahedra, faces with four equivalent TaIr12 cuboctahedra, and faces with sixteen IrTa4Ir8 cuboctahedra. There are six shorter (2.75 Å) and two longer (2.84 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Ta and eight equivalent Ir atoms to form distorted IrTa4Ir8 cuboctahedra that share corners with four equivalent TaIr12 cuboctahedra, corners with fourteen IrTa4Ir8 cuboctahedra, edges with six equivalent TaIr12 cuboctahedra, edges with twelve equivalent IrTa4Ir8 cuboctahedra, faces with four equivalent TaIr12 cuboctahedra, and faces with sixteen IrTa4Ir8 cuboctahedra.