cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1752936
title: Materials Data on LaU3 by Materials Project

description: U3La crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are a spread of U–U bond distances ranging from 2.86–3.44 Å. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. In the second U site, U is bonded to eight equivalent U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve equivalent ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. In the third U site, U is bonded to eight equivalent U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve equivalent ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. La is bonded to twelve U atoms to form LaU12 cuboctahedra that share corners with six equivalent LaU12 cuboctahedra, corners with twelve ULa4U8 cuboctahedra, edges with eighteen ULa4U8 cuboctahedra, faces with eight equivalent LaU12 cuboctahedra, and faces with twelve ULa4U8 cuboctahedra.
DOI: 10.17188/1752938
title: Materials Data on Li2CoNiO4 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: 10.17188/1752939
title: Materials Data on LiFeSiO4 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: 10.17188/1752940
title: Materials Data on Na2V6O13 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: 10.17188/1752942
title: Materials Data on KCr(SO4)2 by Materials Project

description: KCr(SO4)2 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra, edges with six equivalent SO4 tetrahedra, and faces with two equivalent CrO6 octahedra. There are six shorter (2.95 Å) and six longer (3.29 Å) K–O bond lengths. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent SO4 tetrahedra and faces with two equivalent KO12 cuboctahedra. All Cr–O bond lengths are 2.01 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent CrO6 octahedra and edges with three equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. There is one shorter (1.46 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Cr3+, and one S6+ atom.
DOI: 10.17188/1752943
title: Materials Data on BaAl2C2O11 by Materials Project

description: (BaAl2(CO5)2)2O2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four water molecules and one BaAl2(CO5)2 framework. In the BaAl2(CO5)2 framework, Ba is bonded in a 5-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.62–3.16 Å. Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.81–1.96 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.28 Å) and two longer (1.31 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.27 Å) and two longer (1.30 Å) C–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Ba, one Al, and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to one Ba and one C atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to one Ba and two equivalent Al atoms. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent Al and one O atom. The O–O bond length is 1.51 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to one Ba, one Al, and one C atom. In the sixth O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to two equivalent Al and one O atom. In the eighth O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one C atom.
DOI: 10.17188/1752944
title: Materials Data on U(Al2Cu)4 by Materials Project

description: UCu4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a distorted square co-planar geometry to four equivalent Cu and sixteen Al atoms. All U–Cu bond lengths are 3.04 Å. There are eight shorter (3.33 Å) and eight longer (3.36 Å) U–Al bond lengths. Cu is bonded in a 10-coordinate geometry to one U, one Cu, and eight Al atoms. The Cu–Cu bond length is 2.62 Å. There are a spread of Cu–Al bond distances ranging from 2.70–2.91 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. There are four shorter (2.57 Å) and two longer (2.70 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.75 Å.
DOI: 10.17188/1752946
title: Materials Data on CeAg(PSe3)2 by Materials Project

description: CeAg(PSe3)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.02–3.43 Å. Ag1+ is bonded in a 4-coordinate geometry to seven Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.82–3.56 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.19–2.24 Å. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.21–2.23 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Ce3+, one Ag1+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Ce3+, one Ag1+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to one Ce3+, two equivalent Ag1+, and one P4+ atom. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Ce3+, one Ag1+, and one P4+ atom. In the fifth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Ce3+, one Ag1+, and one P4+ atom. In the sixth Se2- site, Se2- is bonded in a 2-coordinate geometry to one Ce3+, one Ag1+, and one P4+ atom.
DOI: 10.17188/1752947
title: Materials Data on K2LiMn2O4 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: 10.17188/1752948
title: Materials Data on Mg2Si4O11 by Materials Project

description: Mg2Si4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a see-saw-like geometry to four O atoms. There is two shorter (1.95 Å) and two longer (1.97 Å) Mg–O bond length. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four SiO4 tetrahedra and an edgeedge with one MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 1.99–2.12 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent Mg atoms. In the fourth O site, O is bonded in a linear geometry to two equivalent Si atoms. In the fifth O site, O is bonded in a distorted T-shaped geometry to two Mg and one Si atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two Mg and one Si atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two Si atoms.
DOI: 10.17188/1752950
title: Materials Data on Ce2CoSi3 by Materials Project

description: Ce2CoSi3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce4+ is bonded in a distorted q4 geometry to nine Si4- atoms. There are three shorter (3.03 Å) and six longer (3.16 Å) Ce–Si bond lengths. Co4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.34 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Si4- atoms. All Si–Si bond lengths are 2.34 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Co4+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Si4- atoms.
DOI: 10.17188/1752951
title: Materials Data on Sr4Co(IrO4)3 by Materials Project

description: Sr4Co(IrO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.81 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.82 Å. There are three inequivalent Ir+4.67+ sites. In the first Ir+4.67+ site, Ir+4.67+ is bonded to six O2- atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 25–27°. There are two shorter (2.04 Å) and four longer (2.05 Å) Ir–O bond lengths. In the second Ir+4.67+ site, Ir+4.67+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are two shorter (1.95 Å) and four longer (2.05 Å) Ir–O bond lengths. In the third Ir+4.67+ site, Ir+4.67+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent IrO6 octahedra and corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 19–25°. There are a spread of Ir–O bond distances ranging from 1.97–2.03 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six IrO6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are two shorter (2.06 Å) and four longer (2.08 Å) Co–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one Ir+4.67+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Ir+4.67+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Ir+4.67+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one Ir+4.67+, and one Co2+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ir+4.67+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, one Ir+4.67+, and one Co2+ atom.
DOI: 10.17188/1752952
title: Materials Data on VOF 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: 10.17188/1752953
title: Materials Data on Na2BiO3 by Materials Project

description: Na2BiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent BiO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are two shorter (2.46 Å) and four longer (2.55 Å) Na–O bond lengths. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent BiO6 octahedra, edges with four equivalent BiO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–11°. There are a spread of Na–O bond distances ranging from 2.45–2.64 Å. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent BiO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–9°. There are a spread of Bi–O bond distances ranging from 2.27–2.31 Å. There are two inequivalent O sites. In the first O site, O is bonded to four Na and two equivalent Bi atoms to form a mixture of edge and corner-sharing ONa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 5–10°. In the second O site, O is bonded to four Na and two equivalent Bi atoms to form a mixture of edge and corner-sharing ONa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 3–7°.
DOI: 10.17188/1752984
title: Materials Data on EuMoO4F 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: 10.17188/1752985
title: Materials Data on K2AgMoI6 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: 10.17188/1752986
title: Materials Data on FeH10S2NO11 by Materials Project

description: FeH6S2O11NH4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonium molecules and one FeH6S2O11 sheet oriented in the (0, 0, 1) direction. In the FeH6S2O11 sheet, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four SO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.99–2.07 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.66 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to 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 O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. In the second S2+ site, S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to two H1+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one H1+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S2+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Fe3+ and two H1+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S2+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe3+ and two H1+ atoms.
DOI: 10.17188/1752987
title: Materials Data on CoH15N6(ClO)2 by Materials Project

description: CoH15(N3O)2Cl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two CoH15(N3O)2 clusters. In each CoH15(N3O)2 cluster, Co3+ is bonded in an octahedral geometry to six N2- atoms. There are a spread of Co–N bond distances ranging from 1.95–2.11 Å. There are six inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the second N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. In the third N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. In the fourth N2- site, N2- is bonded in a trigonal planar geometry to one Co3+ and two O2- atoms. Both N–O bond lengths are 1.24 Å. In the fifth N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. In the sixth N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. There are fifteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N2- atom.
DOI: 10.17188/1752988
title: Materials Data on CdPd2Pt by Materials Project

description: PtPd2Cd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two PtPd2Cd ribbons oriented in the (1, 0, 0) direction. Pt is bonded in a linear geometry to two equivalent Pd atoms. Both Pt–Pd bond lengths are 2.44 Å. Pd is bonded in a linear geometry to one Pt and one Cd atom. The Pd–Cd bond length is 2.65 Å. Cd is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1752989
title: Materials Data on YPaO4 by Materials Project

description: PaYO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.30 Å. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.37 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Y3+ atoms to form a mixture of corner and edge-sharing OY2Pa2 tetrahedra.