cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1277685
title: Materials Data on Cs2MnTe2 by Materials Project

description: Cs2MnTe2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to one Cs1+, two Mn2+, and one Te2- atom. The Cs–Cs bond length is 3.28 Å. Both Cs–Mn bond lengths are 2.92 Å. The Cs–Te bond length is 3.40 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to one Cs1+ and three Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.28–4.22 Å. In the third Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to one Cs1+ and three Te2- atoms. The Cs–Cs bond length is 3.33 Å. There are one shorter (3.29 Å) and two longer (4.20 Å) Cs–Te bond lengths. In the fourth Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to one Cs1+, two Mn2+, and one Te2- atom. Both Cs–Mn bond lengths are 2.89 Å. The Cs–Te bond length is 3.45 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two Cs1+ and two Te2- atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) Mn–Te bond lengths. In the second Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two Cs1+ and two Te2- atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) Mn–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Cs1+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to one Cs1+ and two Mn2+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to one Cs1+ and two Mn2+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Cs1+ atoms.
DOI: 10.17188/1277686
title: Materials Data on Gd(CrSi)2 by Materials Project

description: GdCr2Si2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Gd3+ is bonded in a body-centered cubic geometry to eight Si4- atoms. There are three shorter (3.00 Å) and five longer (3.01 Å) Gd–Si bond lengths. There are two inequivalent Cr+2.50+ sites. In the first Cr+2.50+ site, Cr+2.50+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing CrSi4 tetrahedra. All Cr–Si bond lengths are 2.41 Å. In the second Cr+2.50+ site, Cr+2.50+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing CrSi4 tetrahedra. There are one shorter (2.40 Å) and three longer (2.41 Å) Cr–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four Cr+2.50+, and one Si4- atom. The Si–Si bond length is 2.50 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four Cr+2.50+, and one Si4- atom.
DOI: 10.17188/1277687
title: Materials Data on CaTiSiO5 by Materials Project

description: CaTiSiO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.27–2.64 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with four equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Ti–O bond distances ranging from 1.83–2.05 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 36–53°. There is three shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Ti4+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Ti4+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Ti4+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two equivalent Ti4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Ti4+, and one Si4+ atom.
DOI: 10.17188/1277688
title: Materials Data on O2 by Materials Project

description: O2 is beta oxygen structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of three hydrogen peroxide molecules. O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å.
DOI: 10.17188/1277689
title: Materials Data on CsCrCl3 by Materials Project

description: CsCrCl3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with six equivalent CsCl12 cuboctahedra, corners with six equivalent CrCl6 octahedra, faces with eight equivalent CsCl12 cuboctahedra, and faces with six equivalent CrCl6 octahedra. The corner-sharing octahedra tilt angles range from 15–16°. There are a spread of Cs–Cl bond distances ranging from 3.70–3.92 Å. Cr2+ is bonded to six equivalent Cl1- atoms to form CrCl6 octahedra that share corners with six equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with two equivalent CrCl6 octahedra. All Cr–Cl bond lengths are 2.51 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Cr2+ atoms.
DOI: 10.17188/1277690
title: Materials Data on MnGePd by Materials Project

description: PdMnGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Pd and five Ge atoms. There are two shorter (2.84 Å) and four longer (2.97 Å) Mn–Pd bond lengths. There are one shorter (2.69 Å) and four longer (2.70 Å) Mn–Ge bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent Mn and four Ge atoms. There are two shorter (2.49 Å) and two longer (2.51 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Pd atoms.
DOI: 10.17188/1277691
title: Materials Data on HgC2(SN)2 by Materials Project

description: Hg(SCN)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Hg(SCN)2 sheet oriented in the (0, 0, 1) direction. Hg2+ is bonded to four N3- and two S2- atoms to form edge-sharing HgS2N4 octahedra. There are a spread of Hg–N bond distances ranging from 2.89–3.03 Å. Both Hg–S bond lengths are 2.42 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom.
DOI: 10.17188/1277692
title: Materials Data on Ag3Sn by Materials Project

description: Ag3Sn is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Sn atoms to form AgAg8Sn4 cuboctahedra that share corners with four equivalent SnAg12 cuboctahedra, corners with fourteen AgAg8Sn4 cuboctahedra, edges with six equivalent SnAg12 cuboctahedra, edges with twelve AgAg8Sn4 cuboctahedra, faces with four equivalent SnAg12 cuboctahedra, and faces with sixteen AgAg8Sn4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.99–3.09 Å. There are three shorter (3.02 Å) and one longer (3.07 Å) Ag–Sn bond lengths. In the second Ag site, Ag is bonded to eight equivalent Ag and four equivalent Sn atoms to form AgAg8Sn4 cuboctahedra that share corners with eight equivalent SnAg12 cuboctahedra, corners with ten AgAg8Sn4 cuboctahedra, edges with eighteen AgAg8Sn4 cuboctahedra, faces with six equivalent SnAg12 cuboctahedra, and faces with fourteen AgAg8Sn4 cuboctahedra. There are two shorter (2.99 Å) and two longer (3.06 Å) Ag–Sn bond lengths. Sn is bonded to twelve Ag atoms to form SnAg12 cuboctahedra that share corners with two equivalent SnAg12 cuboctahedra, corners with sixteen AgAg8Sn4 cuboctahedra, edges with six equivalent SnAg12 cuboctahedra, edges with twelve equivalent AgAg8Sn4 cuboctahedra, faces with six equivalent SnAg12 cuboctahedra, and faces with fourteen AgAg8Sn4 cuboctahedra.
DOI: 10.17188/1277693
title: Materials Data on Sr2YSbO6 by Materials Project

description: Sr2YSbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent YO6 octahedra, and faces with four equivalent SbO6 octahedra. All Sr–O bond lengths are 2.97 Å. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–O bond lengths are 2.21 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent YO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Y3+, and one Sb5+ atom.
DOI: 10.17188/1277694
title: Materials Data on SrRuO3 by Materials Project

description: SrRuO3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two RuO2 sheets oriented in the (0, 0, 1) direction and two SrO sheets oriented in the (0, 0, 1) direction. In each RuO2 sheet, Ru4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ru–O bond lengths are 1.84 Å. O2- is bonded in a linear geometry to two equivalent Ru4+ atoms. In each SrO sheet, Sr2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.62 Å. O2- is bonded in a rectangular see-saw-like geometry to four equivalent Sr2+ atoms.
DOI: 10.17188/1277695
title: Materials Data on EuSb2 by Materials Project

description: EuSb2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Eu3+ is bonded in a 10-coordinate geometry to ten Sb+1.50- atoms. There are a spread of Eu–Sb bond distances ranging from 3.30–3.66 Å. There are two inequivalent Sb+1.50- sites. In the first Sb+1.50- site, Sb+1.50- is bonded in a 4-coordinate geometry to six equivalent Eu3+ and two equivalent Sb+1.50- atoms. Both Sb–Sb bond lengths are 3.01 Å. In the second Sb+1.50- site, Sb+1.50- is bonded in a 8-coordinate geometry to four equivalent Eu3+ and four equivalent Sb+1.50- atoms. There are two shorter (3.02 Å) and two longer (3.44 Å) Sb–Sb bond lengths.
DOI: 10.17188/1277696
title: Materials Data on CaMnBi2 by Materials Project

description: CaMnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca is bonded to four equivalent Mn and eight Bi atoms to form CaMn4Bi8 cuboctahedra that share corners with four equivalent CaMn4Bi8 cuboctahedra, corners with eight equivalent MnCa4Bi4 tetrahedra, edges with eight equivalent CaMn4Bi8 cuboctahedra, edges with four equivalent MnCa4Bi4 tetrahedra, and faces with four equivalent CaMn4Bi8 cuboctahedra. All Ca–Mn bond lengths are 3.50 Å. There are four shorter (3.41 Å) and four longer (3.46 Å) Ca–Bi bond lengths. Mn is bonded to four equivalent Ca and four equivalent Bi atoms to form distorted MnCa4Bi4 tetrahedra that share corners with eight equivalent CaMn4Bi8 cuboctahedra, edges with four equivalent CaMn4Bi8 cuboctahedra, edges with four equivalent MnCa4Bi4 tetrahedra, and faces with four equivalent MnCa4Bi4 tetrahedra. All Mn–Bi bond lengths are 2.83 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ca and four equivalent Mn atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ca and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.26 Å.
DOI: 10.17188/1277697
title: Materials Data on K6Na3GaSb4 by Materials Project

description: K6Na3GaSb4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.67–3.95 Å. Na1+ is bonded to four Sb3- atoms to form a mixture of distorted edge and corner-sharing NaSb4 tetrahedra. There are two shorter (3.35 Å) and two longer (3.44 Å) Na–Sb bond lengths. Ga3+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Ga–Sb bond lengths are 2.64 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 11-coordinate geometry to eight equivalent K1+, two equivalent Na1+, and one Ga3+ atom. In the second Sb3- site, Sb3- is bonded to six equivalent K1+ and six equivalent Na1+ atoms to form face-sharing SbK6Na6 cuboctahedra.
DOI: 10.17188/1277698
title: Materials Data on Hg by Materials Project

description: Hg crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two mercury molecules. Hg is bonded in a 2-coordinate geometry to atoms.
DOI: 10.17188/1277699
title: Materials Data on VS2 by Materials Project

description: VS2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one vanadium molecule and two S sheets oriented in the (0, 0, 1) direction. In each S sheet, S2- is bonded in a hexagonal planar geometry to six equivalent S2- atoms. There are a spread of S–S bond distances ranging from 2.55–2.60 Å.
DOI: 10.17188/1277700
title: Materials Data on LiTiAsO5 by Materials Project

description: LiTiAsO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.06–2.26 Å. Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.72–2.33 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–58°. There is three shorter (1.71 Å) and one longer (1.73 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Ti4+, and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Ti4+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one As5+ atom.
DOI: 10.17188/1277701
title: Materials Data on AsN(OF3)2 by Materials Project

description: NO2AsF6 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hydroxylamine, n-hydroxy- molecules and two AsF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.77 Å) and two longer (1.78 Å) As–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
DOI: 10.17188/1277702
title: Materials Data on BaLuFeCuO5 (SG:99) 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: 10.17188/1277703
title: Materials Data on La3Ni2B2N3 by Materials Project

description: La3Ni2B2N3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to five N3- atoms to form LaN5 square pyramids that share corners with five equivalent LaN5 square pyramids, edges with four equivalent LaN6 octahedra, and edges with four equivalent LaN5 square pyramids. There are one shorter (2.60 Å) and four longer (2.66 Å) La–N bond lengths. In the second La3+ site, La3+ is bonded to six N3- atoms to form LaN6 octahedra that share corners with four equivalent LaN6 octahedra, edges with four equivalent LaN6 octahedra, and edges with eight equivalent LaN5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.54 Å) and four longer (2.66 Å) La–N bond lengths. Ni3+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent NLa5B octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. All Ni–B bond lengths are 2.13 Å. B3- is bonded in a single-bond geometry to four equivalent Ni3+ and one N3- atom. The B–N bond length is 1.45 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five La3+ and one B3- atom to form distorted NLa5B octahedra that share corners with five equivalent NLa5B octahedra, corners with four equivalent NiB4 tetrahedra, and edges with eight NLa5B octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second N3- site, N3- is bonded to six La3+ atoms to form NLa6 octahedra that share corners with four equivalent NLa6 octahedra and edges with twelve NLa5B octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1277704
title: Materials Data on C by Materials Project

description: C is diamond-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent C sites. In the first C site, C is bonded to four C atoms to form corner-sharing CC4 tetrahedra. All C–C bond lengths are 1.54 Å. In the second C site, C is bonded to four C atoms to form corner-sharing CC4 tetrahedra. The C–C bond length is 1.57 Å.
DOI: 10.17188/1277705
title: Materials Data on C by Materials Project

description: C is diamond-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent C sites. In the first C site, C is bonded to four C atoms to form corner-sharing CC4 tetrahedra. All C–C bond lengths are 1.55 Å. In the second C site, C is bonded to four C atoms to form corner-sharing CC4 tetrahedra. All C–C bond lengths are 1.55 Å. In the third C site, C is bonded to four C atoms to form corner-sharing CC4 tetrahedra. The C–C bond length is 1.57 Å.
DOI: 10.17188/1277706
title: Materials Data on K2Zn2(SO4)3 by Materials Project

description: K2Zn2(SO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to fifteen O2- atoms. There are a spread of K–O bond distances ranging from 2.90–3.40 Å. In the second 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 2.85–3.18 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.12 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.17 Å) Zn–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 15–52°. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three K1+, one Zn2+, and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Zn2+, and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Zn2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Zn2+, and one S6+ atom.
DOI: 10.17188/1277707
title: Materials Data on Xe by Materials Project

description: Xe is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four xenon molecules. Xe is bonded in a 1-coordinate geometry to atoms.
DOI: 10.17188/1277708
title: Materials Data on CsNiF3 (SG:194) 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: 10.17188/1277709
title: Materials Data on U(CoP)2 by Materials Project

description: UCo2P2 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.95 Å) and four longer (2.97 Å) U–P bond lengths. In the second U3+ site, U3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.94 Å) and four longer (2.97 Å) U–P bond lengths. There are three inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.21 Å) and one longer (2.24 Å) Co–P bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.21 Å) and one longer (2.22 Å) Co–P bond lengths. In the third Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.31 Å) Co–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent U3+ and five Co+1.50+ atoms. In the second P3- site, P3- is bonded in a 4-coordinate geometry to four U3+ and four Co+1.50+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent U3+ and five Co+1.50+ atoms.