cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1687873
title: Materials Data on InI2Br by Materials Project

description: InI2Br is Chromium trichloride-derived structured and crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one InI2Br sheet oriented in the (0, 0, 1) direction. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four I1- and two Br1- atoms to form edge-sharing InI4Br2 octahedra. There are a spread of In–I bond distances ranging from 2.94–2.97 Å. There are one shorter (2.76 Å) and one longer (2.77 Å) In–Br bond lengths. In the second In3+ site, In3+ is bonded to four I1- and two Br1- atoms to form edge-sharing InI4Br2 octahedra. There are a spread of In–I bond distances ranging from 2.94–2.96 Å. There are one shorter (2.76 Å) and one longer (2.77 Å) In–Br bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two In3+ atoms. In the second Br1- site, Br1- is bonded in a water-like geometry to two In3+ atoms.
DOI: 10.17188/1687874
title: Materials Data on Cr2O3 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: 10.17188/1687875
title: Materials Data on Sc2AgPt by Materials Project

description: Sc2PtAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Ag atoms. All Sc–Pt bond lengths are 2.91 Å. All Sc–Ag bond lengths are 2.91 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1687877
title: Materials Data on Rb2AgMoBr6 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: 10.17188/1687878
title: Materials Data on SrV5NiO11 by Materials Project

description: SrV5NiO11 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with six equivalent SrO12 cuboctahedra, edges with six equivalent VO6 octahedra, edges with three equivalent NiO5 trigonal bipyramids, and faces with six equivalent VO6 octahedra. There are six shorter (2.91 Å) and six longer (2.92 Å) Sr–O bond lengths. There are two inequivalent V+3.60+ sites. In the first V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent VO6 octahedra, corners with two equivalent NiO5 trigonal bipyramids, edges with two equivalent SrO12 cuboctahedra, and edges with four equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There is four shorter (1.96 Å) and two longer (1.97 Å) V–O bond length. In the second V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra, corners with three equivalent NiO5 trigonal bipyramids, faces with three equivalent SrO12 cuboctahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three shorter (2.03 Å) and three longer (2.04 Å) V–O bond lengths. Ni2+ is bonded to five O2- atoms to form NiO5 trigonal bipyramids that share corners with twelve VO6 octahedra and edges with three equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are three shorter (1.87 Å) and two longer (2.46 Å) Ni–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent V+3.60+ and one Ni2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and three V+3.60+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent V+3.60+, and one Ni2+ atom.
DOI: 10.17188/1687879
title: Materials Data on Mn3Cu2NiO8 by Materials Project

description: Mn3NiCu2O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CuO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent MnO6 octahedra. There are four shorter (1.97 Å) and two longer (2.04 Å) Mn–O bond lengths. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent MnO6 octahedra. All Ni–O bond lengths are 2.08 Å. Cu+1.50+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with three equivalent NiO6 octahedra and corners with nine equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–62°. There is one shorter (1.97 Å) and three longer (1.99 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mn+3.67+ and one Cu+1.50+ atom to form distorted corner-sharing OMn3Cu trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn+3.67+, one Ni2+, and one Cu+1.50+ atom.
DOI: 10.17188/1687880
title: Materials Data on Ba(B2Pt3)2 by Materials Project

description: Ba(Pt3B2)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent Pt+1.33- atoms to form edge-sharing BaPt12 cuboctahedra. All Ba–Pt bond lengths are 3.41 Å. Pt+1.33- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and four B+1.50+ atoms. There are a spread of Pt–B bond distances ranging from 2.20–2.37 Å. There are two inequivalent B+1.50+ sites. In the first B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.33- atoms. In the second B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.33- atoms.
DOI: 10.17188/1687882
title: Materials Data on CeScSb by Materials Project

description: CeScSb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are four shorter (3.26 Å) and one longer (3.30 Å) Ce–Sb bond lengths. Sc is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Sc–Sb bond lengths are 3.07 Å. Sb is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Sc atoms.
DOI: 10.17188/1687883
title: Materials Data on Ga3Pb by Materials Project

description: Ga3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ga and four equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing GaGa4Pb4 tetrahedra. All Ga–Ga bond lengths are 3.10 Å. All Ga–Pb bond lengths are 3.10 Å. In the second Ga site, Ga is bonded in a distorted q6 geometry to eight equivalent Ga and two equivalent Pb atoms. Both Ga–Pb bond lengths are 3.40 Å. Pb is bonded in a body-centered cubic geometry to ten Ga atoms.
DOI: 10.25345/c5d792
title: MassIVE MSV000086786 - BioID mass spectrometry analysis of proteins proximal to human NERCLIN
title: To gain insight into the function of NERCLIN in human cells, we analyzed its proximal proteins by the proximity-dependent biotin identification (BioID) approach. 143B cells were transfected with fusion constructs using jetPRIME. Following 24 h of transfection, biotin was added to each plate and allowed to biotinylate the proximal proteins for the next 24 h. The plates were washed with PBS, cells were scraped, pelleted and frozen. For each sample, four biological replicates were analyzed. Liquid chromatography mass spectrometry analysis was performed on an Orbitrap Elite ETD mass spectrometer (Thermo Scientific) using the Xcalibur version 2.7.1 coupled to a Thermo Scientific nLCII nanoflow system. The mass spec analysis was done in technical duplicates. Thermo.RAW files were searched with Proteome Discoverer 1.4 (Thermo Scientific) against SEQUEST search engine. The search parameters were taken from. All reported data were based on high confidence peptides assigned in Proteome Discoverer with a 0.01% FDR by Percolator. Control samples (GFP and AIF) and Contaminant Repository for Affinity Purification database were used to identify high confidence interactors of NERCLIN based on the spectral counts.
DOI: 10.17188/1687884
title: Materials Data on CoGeAs2 by Materials Project

description: CoGeAs2 is Chalcopyrite structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Co2+ is bonded to four As3- atoms to form CoAs4 tetrahedra that share corners with four equivalent CoAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. There are one shorter (2.26 Å) and three longer (2.27 Å) Co–As bond lengths. Ge4+ is bonded to four As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent CoAs4 tetrahedra. All Ge–As bond lengths are 2.53 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to two equivalent Co2+ and two equivalent Ge4+ atoms to form corner-sharing AsCo2Ge2 tetrahedra. In the second As3- site, As3- is bonded to two equivalent Co2+ and two equivalent Ge4+ atoms to form corner-sharing AsCo2Ge2 tetrahedra.
DOI: 10.17188/1687885
title: Materials Data on LiZnGa2 by Materials Project

description: LiZnGa2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiZnGa2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ga atoms. Both Li–Ga bond lengths are 2.66 Å. Zn is bonded in a linear geometry to two equivalent Ga atoms. Both Zn–Ga bond lengths are 2.54 Å. Ga is bonded in a linear geometry to one Li and one Zn atom.
DOI: 10.17188/1687886
title: Materials Data on Li4MnCo5O12 by Materials Project

description: Li4MnCo5O12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.07 Å. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six equivalent CoO6 octahedra. There is two shorter (1.94 Å) and four longer (1.97 Å) Mn–O bond length. There are three inequivalent Co+2.60+ sites. In the first Co+2.60+ site, Co+2.60+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.95–2.07 Å. In the second Co+2.60+ site, Co+2.60+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with three equivalent MnO6 octahedra and edges with three equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.91–1.96 Å. In the third Co+2.60+ site, Co+2.60+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.90 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Mn7+, and two equivalent Co+2.60+ atoms to form distorted OLi2MnCo2 trigonal bipyramids that share corners with two equivalent OLi2Co3 square pyramids, corners with three equivalent OLi2MnCo2 trigonal bipyramids, an edgeedge with one OLi2Co3 square pyramid, and edges with four equivalent OLi2MnCo2 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Li1+ and three Co+2.60+ atoms to form distorted OLi2Co3 square pyramids that share corners with three equivalent OLi2Co3 square pyramids, corners with two equivalent OLi2MnCo2 trigonal bipyramids, edges with four equivalent OLi2Co3 square pyramids, and an edgeedge with one OLi2MnCo2 trigonal bipyramid. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Co+2.60+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Mn7+ and two equivalent Co+2.60+ atoms.
DOI: 10.17188/1687887
title: Materials Data on CoPSe by Materials Project

description: CoPSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Co3+ is bonded to three equivalent P1- and three equivalent Se2- atoms to form CoP3Se3 octahedra that share corners with twelve equivalent CoP3Se3 octahedra, corners with three equivalent PCo3Se tetrahedra, and corners with three equivalent SeCo3P tetrahedra. The corner-sharing octahedra tilt angles range from 63–64°. All Co–P bond lengths are 2.28 Å. All Co–Se bond lengths are 2.39 Å. P1- is bonded to three equivalent Co3+ and one Se2- atom to form PCo3Se tetrahedra that share corners with three equivalent CoP3Se3 octahedra, corners with six equivalent PCo3Se tetrahedra, and corners with nine equivalent SeCo3P tetrahedra. The corner-sharing octahedral tilt angles are 78°. The P–Se bond length is 2.33 Å. Se2- is bonded to three equivalent Co3+ and one P1- atom to form SeCo3P tetrahedra that share corners with three equivalent CoP3Se3 octahedra, corners with six equivalent SeCo3P tetrahedra, and corners with nine equivalent PCo3Se tetrahedra. The corner-sharing octahedral tilt angles are 80°.
DOI: 10.17188/1687888
title: Materials Data on LiCoF3 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: 10.17188/1687889
title: Materials Data on LaCeAl2O6 by Materials Project

description: CeLaAl2O6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded to twelve O2- atoms to form CeO12 cuboctahedra that share corners with four equivalent CeO12 cuboctahedra, corners with eight equivalent LaO12 cuboctahedra, faces with two equivalent LaO12 cuboctahedra, faces with four equivalent CeO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Ce–O bond lengths are 2.68 Å. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with four equivalent LaO12 cuboctahedra, corners with eight equivalent CeO12 cuboctahedra, faces with two equivalent CeO12 cuboctahedra, faces with four equivalent LaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are four shorter (2.68 Å) and eight longer (2.69 Å) La–O bond lengths. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra, faces with four equivalent CeO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Al–O bond distances ranging from 1.89–1.91 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ce3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ce3+, two equivalent La3+, and two equivalent Al3+ atoms.
DOI: 10.17188/1687890
title: Materials Data on YPO6 by Materials Project

description: YPO6 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two YPO6 sheets oriented in the (0, 1, 0) direction. Y is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.25–3.12 Å. P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.54 Å) and two longer (1.57 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to one Y and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a water-like geometry to one Y and one P atom.
DOI: 10.17188/1687891
title: Materials Data on Rb2CoH8(CO5)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: 10.17188/1687892
title: Materials Data on Li2Mn2OF4 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: 10.17188/1687893
title: Materials Data on K5NaV2(MoO5)6 by Materials Project

description: K5NaV2(MoO5)6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to eight O atoms. There are four shorter (2.90 Å) and four longer (3.34 Å) K–O bond lengths. In the second K site, K is bonded in a 8-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.28 Å. Na is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.54–2.89 Å. V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.66–2.36 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.37 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.65 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent K, one Na, and one Mo atom. In the second O site, O is bonded in a 3-coordinate geometry to one K and two Mo atoms. In the third O site, O is bonded in a 2-coordinate geometry to one K, one V, and two equivalent Mo atoms. In the fourth O site, O is bonded in a 5-coordinate geometry to two equivalent V and three Mo atoms. In the fifth O site, O is bonded in a single-bond geometry to one Mo atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent K, one Na, and one Mo atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one V and one Mo atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent K, one Na, and one V atom. In the ninth O site, O is bonded in a distorted T-shaped geometry to three K atoms. In the tenth O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom.
DOI: 10.17188/1687894
title: Materials Data on K3Sn2S3ClO3 by Materials Project

description: K3Sn2S3O3Cl crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.83 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to two equivalent S+0.67-, two O2-, and two equivalent Cl1- atoms. There are one shorter (3.42 Å) and one longer (3.44 Å) K–S bond lengths. There are one shorter (2.70 Å) and one longer (2.99 Å) K–O bond lengths. There are one shorter (3.04 Å) and one longer (3.08 Å) K–Cl bond lengths. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to four S+0.67-, three O2-, and two equivalent Cl1- atoms. There are a spread of K–S bond distances ranging from 3.26–3.65 Å. There are a spread of K–O bond distances ranging from 2.82–3.45 Å. There are one shorter (3.00 Å) and one longer (3.18 Å) K–Cl bond lengths. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three S+0.67- atoms. There are a spread of Sn–S bond distances ranging from 2.59–2.70 Å. In the second Sn3+ site, Sn3+ is bonded in a 1-coordinate geometry to two O2- and one Cl1- atom. There are one shorter (2.20 Å) and one longer (2.69 Å) Sn–O bond lengths. The Sn–Cl bond length is 2.94 Å. There are three inequivalent S+0.67- sites. In the first S+0.67- site, S+0.67- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sn3+, and one O2- atom. The S–O bond length is 1.62 Å. In the second S+0.67- site, S+0.67- is bonded in a distorted single-bond geometry to one K1+, one Sn3+, and one O2- atom. The S–O bond length is 1.63 Å. In the third S+0.67- site, S+0.67- is bonded in a distorted single-bond geometry to three K1+, one Sn3+, and one O2- atom. The S–O bond length is 1.70 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one S+0.67- atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two K1+, one Sn3+, and one S+0.67- atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three K1+, one Sn3+, and one S+0.67- atom. Cl1- is bonded to four K1+ and one Sn3+ atom to form distorted edge-sharing ClK4Sn square pyramids.
DOI: 10.17188/1687895
title: Materials Data on CeU4O10 by Materials Project

description: U4CeO10 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent U+4.25+ sites. In the first U+4.25+ site, U+4.25+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.24–2.35 Å. In the second U+4.25+ site, U+4.25+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.36 Å. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.39 Å) and two longer (2.46 Å) Ce–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent U+4.25+ and one Ce3+ atom to form OCeU3 tetrahedra that share corners with sixteen OU4 tetrahedra and edges with six OCe3U tetrahedra. In the second O2- site, O2- is bonded to four U+4.25+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four equivalent U+4.25+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to one U+4.25+ and three equivalent Ce3+ atoms to form OCe3U tetrahedra that share corners with sixteen OU4 tetrahedra and edges with six OCe3U tetrahedra. In the fifth O2- site, O2- is bonded to four U+4.25+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixth O2- site, O2- is bonded to one U+4.25+ and three equivalent Ce3+ atoms to form OCe3U tetrahedra that share corners with sixteen OCeU3 tetrahedra and edges with six OCe3U tetrahedra. The O–U bond length is 2.24 Å. All O–Ce bond lengths are 2.39 Å.