cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1752307
title: Materials Data on Zn9Ga3Mo2 by Materials Project

description: Mo2Zn9Ga3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mo is bonded to nine Zn and three equivalent Ga atoms to form corner-sharing MoZn9Ga3 cuboctahedra. There are six shorter (2.75 Å) and three longer (2.79 Å) Mo–Zn bond lengths. All Mo–Ga bond lengths are 2.65 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Mo and eight Zn atoms. There are four shorter (2.70 Å) and four longer (2.75 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Mo, six Zn, and two equivalent Ga atoms. There are two shorter (2.63 Å) and two longer (2.86 Å) Zn–Zn bond lengths. Both Zn–Ga bond lengths are 2.77 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Mo, six Zn, and two equivalent Ga atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.86 Å. Both Zn–Ga bond lengths are 2.77 Å. Ga is bonded in a 10-coordinate geometry to two equivalent Mo, four equivalent Zn, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.75 Å.
DOI: 10.17188/1752308
title: Materials Data on DyMnFeO5 by Materials Project

description: DyFeMnO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.34–2.49 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent FeO5 square pyramids and edges with two equivalent MnO6 octahedra. There is two shorter (1.92 Å) and four longer (1.93 Å) Mn–O bond length. Fe3+ is bonded to five O2- atoms to form distorted FeO5 square pyramids that share corners with four equivalent MnO6 octahedra and an edgeedge with one FeO5 square pyramid. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Fe–O bond distances ranging from 1.90–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Fe3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+, one Mn4+, and one Fe3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn4+ and one Fe3+ atom.
DOI: 10.17188/1752309
title: Materials Data on AsXe2OF10 by Materials Project

description: (XeF2)4(AsF6)2O2 crystallizes in the tetragonal I4/mcm space group. The structure is zero-dimensional and consists of four water molecules, four AsF6 clusters, and eight XeF2 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six equivalent F atoms. All As–F bond lengths are 1.78 Å. F is bonded in a single-bond geometry to one As atom. In each XeF2 cluster, Xe is bonded in a linear geometry to two equivalent F atoms. Both Xe–F bond lengths are 2.09 Å. F is bonded in a single-bond geometry to one Xe atom.
DOI: 10.17188/1752310
title: Materials Data on TiCo3O8 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: 10.17188/1752311
title: Materials Data on HoNiAs by Materials Project

description: HoNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing HoNi6As6 cuboctahedra. All Ho–Ni bond lengths are 3.02 Å. All Ho–As bond lengths are 3.02 Å. Ni is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Ni atoms.
DOI: 10.17188/1752312
title: Materials Data on Mn3SnO8 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: 10.17188/1752313
title: Materials Data on Mo6N2Cl14O by Materials Project

description: Mo6N2OCl14 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Mo+3.67+ sites. In the first Mo+3.67+ site, Mo+3.67+ is bonded to five Cl1- atoms to form MoCl5 square pyramids that share a cornercorner with one OCl6 pentagonal pyramid and edges with four MoCl5 square pyramids. There are a spread of Mo–Cl bond distances ranging from 2.36–2.56 Å. In the second Mo+3.67+ site, Mo+3.67+ is bonded to five Cl1- atoms to form edge-sharing MoCl5 square pyramids. There are a spread of Mo–Cl bond distances ranging from 2.40–2.57 Å. In the third Mo+3.67+ site, Mo+3.67+ is bonded to five Cl1- atoms to form MoCl5 square pyramids that share corners with two equivalent OCl6 pentagonal pyramids and edges with four MoCl5 square pyramids. There are a spread of Mo–Cl bond distances ranging from 2.38–2.56 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four equivalent Cl1- atoms. There are two shorter (3.15 Å) and two longer (3.38 Å) N–Cl bond lengths. In the second N3- site, N3- is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are two shorter (3.49 Å) and two longer (3.55 Å) N–Cl bond lengths. O2- is bonded to six Cl1- atoms to form distorted OCl6 pentagonal pyramids that share corners with six MoCl5 square pyramids and edges with two equivalent OCl6 pentagonal pyramids. There are four shorter (3.28 Å) and two longer (3.54 Å) O–Cl bond lengths. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Mo+3.67+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Mo+3.67+ and three N3- atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Mo+3.67+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Mo+3.67+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Mo+3.67+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Mo+3.67+ and two equivalent O2- atoms. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo+3.67+, one N3-, and one O2- atom.
DOI: 10.17188/1752314
title: Materials Data on Ce2Si2Ni15 by Materials Project

description: Ce2Ni15Si2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.89–3.26 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to eighteen Ni and two equivalent Si atoms. There are a spread of Ce–Ni bond distances ranging from 2.94–3.16 Å. Both Ce–Si bond lengths are 2.92 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Ce, eight Ni, and two equivalent Si atoms to form NiCe2Si2Ni8 cuboctahedra that share corners with fourteen NiCe2Si2Ni8 cuboctahedra, edges with six equivalent NiCe3SiNi8 cuboctahedra, and faces with ten NiCe2Si2Ni8 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.44 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two Ce, eight Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.44–2.55 Å. Both Ni–Si bond lengths are 2.77 Å. In the third Ni site, Ni is bonded to three Ce, eight Ni, and one Si atom to form a mixture of edge, corner, and face-sharing NiCe3SiNi8 cuboctahedra. Both Ni–Ni bond lengths are 2.42 Å. The Ni–Si bond length is 2.58 Å. Si is bonded in a 2-coordinate geometry to one Ce, twelve Ni, and one Si atom. The Si–Si bond length is 2.41 Å.
DOI: 10.17188/1752315
title: Materials Data on Ga2P4C6NO14 by Materials Project

description: (GaPO4)2C4P2NO4(CO)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight formaldehyde molecules; four C4P2NO4 clusters; and two GaPO4 sheets oriented in the (1, 0, 0) direction. In each C4P2NO4 cluster, there are two inequivalent C+0.83+ sites. In the first C+0.83+ site, C+0.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.55 Å. In the second C+0.83+ site, C+0.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.69 Å. P5+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.46 Å) and one longer (1.47 Å) P–O bond length. N3- is bonded in a 2-coordinate geometry to four C+0.83+ and two equivalent O2- atoms. Both N–O bond lengths are 3.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ and one N3- atom. In each GaPO4 sheet, Ga3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ga–O bond distances ranging from 1.82–1.96 Å. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.53 Å) and one longer (1.54 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Ga3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one P5+ atom.
DOI: 10.17188/1752316
title: Materials Data on Mn2FeRe by Materials Project

description: ReMn2Fe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ReMn2Fe ribbons oriented in the (1, 0, 0) direction. Re is bonded in a linear geometry to two equivalent Mn atoms. Both Re–Mn bond lengths are 2.28 Å. Mn is bonded in a linear geometry to one Re and one Fe atom. The Mn–Fe bond length is 2.31 Å. Fe is bonded in a linear geometry to two equivalent Mn atoms.
DOI: 10.17188/1752318
title: Materials Data on Sc2TlRh by Materials Project

description: Sc2RhTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2RhTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Rh and one Tl atom. The Sc–Rh bond length is 2.27 Å. The Sc–Tl bond length is 2.92 Å. Rh is bonded in a linear geometry to two equivalent Sc atoms. Tl is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1752319
title: Materials Data on Ho2VFeO6 by Materials Project

description: Ho2VFeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.68 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are a spread of V–O bond distances ranging from 2.01–2.07 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are a spread of Fe–O bond distances ranging from 1.97–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+, one V3+, and one Fe3+ atom to form distorted corner-sharing OHo2VFe trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ho3+, one V3+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ho3+, one V3+, and one Fe3+ atom.
DOI: 10.17188/1752320
title: Materials Data on ThGaPt by Materials Project

description: ThPtGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Pt and six equivalent Ga atoms. There are four shorter (3.03 Å) and one longer (3.04 Å) Th–Pt bond lengths. There are two shorter (3.27 Å) and four longer (3.35 Å) Th–Ga bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Ga atoms. All Pt–Ga bond lengths are 2.73 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.85 Å. Ga is bonded in a 4-coordinate geometry to six equivalent Th and four Pt atoms.
DOI: 10.17188/1752321
title: Materials Data on Nb3Br7N2O5 by Materials Project

description: Nb3O5Br7N2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight ammonia molecules and two Nb3O5Br7 sheets oriented in the (1, 0, 0) direction. In each Nb3O5Br7 sheet, there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to three O2- and three Br1- atoms. There are a spread of Nb–O bond distances ranging from 1.81–2.00 Å. There are a spread of Nb–Br bond distances ranging from 2.55–2.89 Å. In the second Nb5+ site, Nb5+ is bonded in a distorted octahedral geometry to four O2- and two equivalent Br1- atoms. There are two shorter (1.88 Å) and two longer (2.15 Å) Nb–O bond lengths. Both Nb–Br bond lengths are 2.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb5+ and one Br1- atom. The O–Br bond length is 3.62 Å. In the second O2- site, O2- is bonded in a linear geometry to two Nb5+ and one Br1- atom. The O–Br bond length is 3.16 Å. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ and two equivalent Br1- atoms. Both O–Br bond lengths are 2.96 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Nb5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Nb5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourth Br1- site, Br1- is bonded in a 8-coordinate geometry to two equivalent Nb5+ and six O2- atoms.
DOI: 10.17188/1752323
title: Materials Data on La3MoO7 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: 10.17188/1752324
title: Materials Data on LiVCr(P2O7)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: 10.17188/1752325
title: Materials Data on V2NiO6 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: 10.17188/1752326
title: Materials Data on K2Mg(CO3)2 by Materials Project

description: K2Mg(CO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.10 Å. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.12 Å) and four longer (2.13 Å) Mg–O bond lengths. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+, one Mg2+, and one C4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+, one Mg2+, and one C4+ atom.
DOI: 10.17188/1752327
title: Materials Data on LiLaBi2 by Materials Project

description: LaLiBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li is bonded to four equivalent Bi atoms to form a mixture of edge and corner-sharing LiBi4 tetrahedra. All Li–Bi bond lengths are 2.90 Å. La is bonded in a 12-coordinate geometry to eight Bi atoms. There are four shorter (3.40 Å) and four longer (3.51 Å) La–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Li and four equivalent La atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.22 Å.
DOI: 10.17188/1752328
title: Materials Data on CrCo4SbO8 by Materials Project

description: CrCo4SbO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent SbO6 octahedra, and edges with four equivalent CoO6 octahedra. There are two shorter (2.02 Å) and four longer (2.07 Å) Cr–O bond lengths. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent CrO6 octahedra, corners with three equivalent SbO6 octahedra, and corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 55–60°. There are a spread of Co–O bond distances ranging from 1.97–2.04 Å. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent CrO6 octahedra, edges with two equivalent CoO6 octahedra, and edges with two equivalent SbO6 octahedra. There are a spread of Co–O bond distances ranging from 2.06–2.18 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent CrO6 octahedra, and edges with four equivalent CoO6 octahedra. There are two shorter (2.01 Å) and four longer (2.04 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Cr3+ and three Co2+ atoms to form distorted OCrCo3 trigonal pyramids that share corners with six OCrCo3 trigonal pyramids and an edgeedge with one OCo3Sb trigonal pyramid. In the second O2- site, O2- is bonded to three Co2+ and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OCo3Sb trigonal pyramids. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Cr3+, two Co2+, and one Sb5+ atom.
DOI: 10.17188/1752330
title: Materials Data on Sm2(Ga3Rh)3 by Materials Project

description: Sm2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.05–3.15 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.60 Å) and four longer (2.65 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.59–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Rh, and six Ga atoms. There are four shorter (2.77 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Sm, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.80–2.98 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Sm, three Rh, and five Ga atoms. There are one shorter (2.80 Å) and two longer (2.86 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.75 Å.
DOI: 10.17188/1752331
title: Materials Data on RbMoP2O7 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: 10.17188/1752332
title: Materials Data on TiCuO3 by Materials Project

description: CuTiO3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.89 Å) and four longer (2.01 Å) Ti–O bond length. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Ti4+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ti4+ atoms.
DOI: 10.17188/1752333
title: Materials Data on Al2O3 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: 10.17188/1752334
title: Materials Data on Ce3AlO by Materials Project

description: Ce3AlO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent Al and two equivalent O atoms. All Ce–Al bond lengths are 3.41 Å. Both Ce–O bond lengths are 2.41 Å. Al is bonded to twelve equivalent Ce atoms to form AlCe12 cuboctahedra that share corners with twelve equivalent AlCe12 cuboctahedra, faces with six equivalent AlCe12 cuboctahedra, and faces with eight equivalent OCe6 octahedra. O is bonded to six equivalent Ce atoms to form OCe6 octahedra that share corners with six equivalent OCe6 octahedra and faces with eight equivalent AlCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.