cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1675782
title: Materials Data on Lu3AlC by Materials Project

description: Lu3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Lu–Al bond lengths are 3.36 Å. Both Lu–C bond lengths are 2.37 Å. Al is bonded to twelve equivalent Lu atoms to form AlLu12 cuboctahedra that share corners with twelve equivalent AlLu12 cuboctahedra, faces with six equivalent AlLu12 cuboctahedra, and faces with eight equivalent CLu6 octahedra. C is bonded to six equivalent Lu atoms to form CLu6 octahedra that share corners with six equivalent CLu6 octahedra and faces with eight equivalent AlLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1675783
title: Materials Data on Li2TiCrO4 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: 10.17188/1675784
title: Materials Data on NiP2(H8O5)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: 10.17188/1675785
title: Materials Data on CeSiGeRh2 by Materials Project

description: CeRh2GeSi crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Rh, four equivalent Ge, and four equivalent Si atoms. There are four shorter (3.25 Å) and four longer (3.35 Å) Ce–Rh bond lengths. All Ce–Ge bond lengths are 3.17 Å. All Ce–Si bond lengths are 3.20 Å. Rh is bonded in a 4-coordinate geometry to four equivalent Ce, two equivalent Ge, and two equivalent Si atoms. Both Rh–Ge bond lengths are 2.50 Å. Both Rh–Si bond lengths are 2.40 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Rh, and one Si atom. The Ge–Si bond length is 2.53 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Rh, and one Ge atom.
DOI: 10.17188/1675787
title: Materials Data on Zr9Re4B by Materials Project

description: Zr9Re4B crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 1-coordinate geometry to four Re and one B atom. There are a spread of Zr–Re bond distances ranging from 2.99–3.09 Å. The Zr–B bond length is 2.58 Å. In the second Zr site, Zr is bonded in a distorted T-shaped geometry to two equivalent Re and one B atom. Both Zr–Re bond lengths are 2.88 Å. The Zr–B bond length is 3.02 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to eight Zr and four Re atoms to form distorted ReZr8Re4 cuboctahedra that share corners with four equivalent ReZr8Re4 cuboctahedra and faces with eight ReZr6Re6 cuboctahedra. There are two shorter (2.69 Å) and two longer (2.74 Å) Re–Re bond lengths. In the second Re site, Re is bonded to six equivalent Zr and six equivalent Re atoms to form face-sharing ReZr6Re6 cuboctahedra. B is bonded in a 6-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1675788
title: Materials Data on Li3Mn(CoO3)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: 10.17188/1675789
title: Materials Data on Cs4Au6S5 by Materials Project

description: Cs4Au6S5 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are three shorter (3.56 Å) and three longer (4.17 Å) Cs–S bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to four equivalent Au1+ and five S2- atoms. There are two shorter (3.84 Å) and two longer (3.85 Å) Cs–Au bond lengths. There are a spread of Cs–S bond distances ranging from 3.68–4.06 Å. Au1+ is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two S2- atoms. There are one shorter (2.32 Å) and one longer (2.34 Å) Au–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Cs1+ and three equivalent Au1+ atoms to form SCs3Au3 octahedra that share corners with three equivalent SCs3Au3 octahedra, corners with six equivalent SCs5Au2 pentagonal bipyramids, and edges with three equivalent SCs5Au2 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 67°. In the second S2- site, S2- is bonded to five Cs1+ and two equivalent Au1+ atoms to form distorted SCs5Au2 pentagonal bipyramids that share corners with four equivalent SCs3Au3 octahedra, corners with ten equivalent SCs5Au2 pentagonal bipyramids, edges with two equivalent SCs3Au3 octahedra, and faces with two equivalent SCs5Au2 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–33°.
DOI: 10.17188/1675790
title: Materials Data on FePH5CO4 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: 10.17188/1675791
title: Materials Data on LiMnO by Materials Project

description: LiMnO crystallizes in the tetragonal P4mm space group. The structure is one-dimensional and consists of one LiMnO ribbon oriented in the (0, 0, 1) direction. Li is bonded in a linear geometry to one Mn and one O atom. The Li–Mn bond length is 3.01 Å. The Li–O bond length is 1.71 Å. Mn is bonded in a linear geometry to one Li and one O atom. The Mn–O bond length is 1.79 Å. O is bonded in a linear geometry to one Li and one Mn atom.
DOI: 10.17188/1675792
title: Materials Data on Na4CrH6ClO7 by Materials Project

description: Na4CrH6O7Cl crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 10-coordinate geometry to four H1+, five O2-, and one Cl1- atom. There are a spread of Na–H bond distances ranging from 2.54–2.60 Å. There are a spread of Na–O bond distances ranging from 2.36–2.59 Å. The Na–Cl bond length is 2.72 Å. In the second Na1+ site, Na1+ is bonded in a 10-coordinate geometry to four H1+ and six O2- atoms. There are a spread of Na–H bond distances ranging from 2.52–2.61 Å. There are a spread of Na–O bond distances ranging from 2.38–2.59 Å. In the third Na1+ site, Na1+ is bonded in a 8-coordinate geometry to two H1+, five O2-, and one Cl1- atom. There are one shorter (2.48 Å) and one longer (2.56 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.35–2.52 Å. The Na–Cl bond length is 2.88 Å. In the fourth Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.50 Å. Cr5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Cr–O bond distances ranging from 1.97–2.05 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to two Na1+ and one O2- atom. The H–O bond length is 0.97 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.99 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Cr5+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Cr5+, and one H1+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two Na1+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Cr5+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Cr5+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to four Na1+, one Cr5+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to four Na1+, one Cr5+, and one H1+ atom. Cl1- is bonded in a distorted L-shaped geometry to two Na1+ atoms.
DOI: 10.17188/1675793
title: Materials Data on RbCrH12(SO4)2 by Materials Project

description: RbCrH12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 2.83 Å. Cr3+ is bonded in a hexagonal bipyramidal geometry to six equivalent H1+ and two equivalent O2- atoms. All Cr–H bond lengths are 1.62 Å. Both Cr–O bond lengths are 2.14 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Cr3+ atom. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.45 Å) H–O bond length. S is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All S–O bond lengths are 1.53 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one H1+, and one S atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cr3+ and three equivalent H1+ atoms.
DOI: 10.17188/1675795
title: Materials Data on LaGaO3 by Materials Project

description: LaGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent GaO6 octahedra. All La–O bond lengths are 2.77 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1675796
title: Materials Data on Cs3SbSe3 by Materials Project

description: Cs3SbSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.63 Å) and three longer (3.83 Å) Cs–Se bond lengths. In the second Cs1+ site, Cs1+ is bonded to six equivalent Se2- atoms to form a mixture of corner, edge, and face-sharing CsSe6 octahedra. The corner-sharing octahedra tilt angles range from 32–64°. There are three shorter (3.91 Å) and three longer (4.15 Å) Cs–Se bond lengths. In the third Cs1+ site, Cs1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted corner, edge, and face-sharing CsSe6 octahedra. The corner-sharing octahedra tilt angles range from 32–41°. There are three shorter (3.65 Å) and three longer (3.77 Å) Cs–Se bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Sb–Se bond lengths are 2.60 Å. Se2- is bonded in a 7-coordinate geometry to six Cs1+ and one Sb3+ atom.
DOI: 10.17188/1675797
title: Materials Data on Li3Ti2(NiO4)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: 10.17188/1675798
title: Materials Data on C(N2O)2 by Materials Project

description: C(N2O)2 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of sixteen 2-nitroguanidine molecules. C4+ is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.34–1.40 Å. There are four inequivalent N sites. In the first N site, N is bonded in a distorted single-bond geometry to one C4+ atom. In the second N site, N is bonded in a single-bond geometry to one C4+ atom. In the third N site, N is bonded in a distorted bent 120 degrees geometry to one C4+ and one N atom. The N–N bond length is 1.41 Å. In the fourth N site, N is bonded in a distorted trigonal planar geometry to one N and two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N atom.
DOI: 10.17188/1675799
title: Materials Data on RbLi2O3 by Materials Project

description: RbLi2O3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one RbLi2O3 ribbon oriented in the (0, 1, 0) direction. Rb is bonded in a 2-coordinate geometry to two O atoms. There are one shorter (2.88 Å) and one longer (2.93 Å) Rb–O bond lengths. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.89–1.94 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to four equivalent Li atoms. In the second O site, O is bonded in a 2-coordinate geometry to one Rb and two equivalent Li atoms. In the third O site, O is bonded in a distorted water-like geometry to one Rb and two equivalent Li atoms.
DOI: 10.17188/1675800
title: Materials Data on SmCr2O2 by Materials Project

description: SmCr2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sm is bonded in a linear geometry to two equivalent O atoms. Both Sm–O bond lengths are 2.23 Å. Cr is bonded in a 1-coordinate geometry to three equivalent O atoms. There are one shorter (2.01 Å) and two longer (2.43 Å) Cr–O bond lengths. O is bonded in a distorted rectangular see-saw-like geometry to one Sm and three equivalent Cr atoms.
DOI: 10.17188/1675801
title: Materials Data on ErMn4(CuO4)3 by Materials Project

description: ErMn4(CuO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Er3+ is bonded to twelve equivalent O2- atoms to form ErO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Er–O bond lengths are 2.56 Å. Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent ErO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Mn–O bond lengths are 1.98 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.93 Å. O2- is bonded in a 3-coordinate geometry to one Er3+, two equivalent Mn+4.50+, and one Cu1+ atom.
DOI: 10.17188/1675802
title: Materials Data on Nb6Cr7 by Materials Project

description: Nb6Cr7 is Frank-Kasper $\mu$ Phase structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 9-coordinate geometry to nine Nb and six equivalent Cr atoms. There are a spread of Nb–Nb bond distances ranging from 2.84–3.14 Å. There are three shorter (2.93 Å) and three longer (2.98 Å) Nb–Cr bond lengths. In the second Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Cr atoms. There are one shorter (2.83 Å) and three longer (3.00 Å) Nb–Nb bond lengths. There are six shorter (2.88 Å) and six longer (2.91 Å) Nb–Cr bond lengths. In the third Nb site, Nb is bonded in a 7-coordinate geometry to eight Nb and six equivalent Cr atoms. The Nb–Nb bond length is 2.63 Å. All Nb–Cr bond lengths are 2.77 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent Nb and six equivalent Cr atoms to form CrNb6Cr6 cuboctahedra that share corners with twelve equivalent CrNb7Cr5 cuboctahedra, edges with six equivalent CrNb6Cr6 cuboctahedra, and faces with eighteen equivalent CrNb7Cr5 cuboctahedra. All Cr–Cr bond lengths are 2.49 Å. In the second Cr site, Cr is bonded to seven Nb and five Cr atoms to form CrNb7Cr5 cuboctahedra that share corners with fifteen CrNb6Cr6 cuboctahedra, edges with five equivalent CrNb7Cr5 cuboctahedra, and faces with thirteen CrNb6Cr6 cuboctahedra. There are two shorter (2.43 Å) and two longer (2.48 Å) Cr–Cr bond lengths.
DOI: 10.17188/1675803
title: Materials Data on LiMnO2 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: 10.17188/1675805
title: Materials Data on TlCu7Se4 by Materials Project

description: TlCu7Se4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are seven inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.43–2.65 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.76 Å. In the third Cu1+ site, Cu1+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.44–2.63 Å. In the fourth Cu1+ site, Cu1+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.38–2.59 Å. In the fifth Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.46–2.77 Å. In the sixth Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.41–2.71 Å. In the seventh Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.45 Å) and two longer (2.49 Å) Cu–Se bond lengths. Tl1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.30–3.54 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to six Cu1+ and two equivalent Tl1+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six Cu1+ and two equivalent Tl1+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to five Cu1+ and two equivalent Tl1+ atoms. In the fourth Se2- site, Se2- is bonded in a 9-coordinate geometry to seven Cu1+ and two equivalent Tl1+ atoms.
DOI: 10.17188/1675806
title: Materials Data on MgFeSiO4 by Materials Project

description: MgFeSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent FeO6 octahedra, corners with two equivalent SiO4 tetrahedra, edges with two equivalent MgO6 octahedra, edges with two equivalent FeO6 octahedra, and edges with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–64°. There are a spread of Mg–O bond distances ranging from 2.09–2.20 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with four equivalent FeO6 octahedra, corners with four equivalent SiO4 tetrahedra, edges with two equivalent MgO6 octahedra, and an edgeedge with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–64°. There are a spread of Fe–O bond distances ranging from 2.11–2.30 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent FeO6 octahedra, an edgeedge with one FeO6 octahedra, and edges with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 54–64°. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Fe2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg2+, one Fe2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+, two equivalent Fe2+, and one Si4+ atom.
DOI: 10.17188/1675807
title: Materials Data on U2(Ga3Ir)3 by Materials Project

description: U2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of U–Ga bond distances ranging from 3.01–3.20 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.56–2.68 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.55–2.66 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Ir, and six Ga atoms. There are two shorter (2.75 Å) and four longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent U, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–2.94 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent U, three Ir, and five Ga atoms. There are two shorter (2.79 Å) and one longer (2.84 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.