cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1678608
title: Materials Data on FeAgSb(S2N3)2 by Materials Project

description: FeAgSb(N3S2)2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Fe3+ is bonded in a distorted octahedral geometry to six N+0.33- atoms. There is two shorter (1.68 Å) and four longer (2.16 Å) Fe–N bond length. Ag2+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All Ag–S bond lengths are 2.70 Å. Sb5+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All Sb–S bond lengths are 2.75 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to one Fe3+, one N+0.33-, and two equivalent S2- atoms. The N–N bond length is 1.14 Å. There are one shorter (3.02 Å) and one longer (3.05 Å) N–S bond lengths. In the second N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Fe3+ and four equivalent S2- atoms. There are two shorter (3.18 Å) and two longer (3.22 Å) N–S bond lengths. S2- is bonded in a 3-coordinate geometry to one Ag2+, one Sb5+, four N+0.33-, and one S2- atom. The S–S bond length is 2.04 Å.
DOI: 10.17188/1678609
title: Materials Data on LiCo2P4H3O16 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: 10.17188/1678610
title: Materials Data on V2Pb14Cl4O17 by Materials Project

description: V2Pb14O17Cl4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.78 Å. There are seven inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.96 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.40–2.51 Å. There are a spread of Pb–Cl bond distances ranging from 3.42–3.55 Å. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to four O2- and three Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.32–2.83 Å. There are a spread of Pb–Cl bond distances ranging from 3.05–3.41 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- and four Cl1- atoms. There are one shorter (2.25 Å) and two longer (2.37 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 3.22–3.64 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.55 Å. There are a spread of Pb–Cl bond distances ranging from 3.35–3.72 Å. In the sixth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.30–3.02 Å. In the seventh Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.23–3.15 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Pb2+ atoms. In the second O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Pb2+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ and four Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and three Pb2+ atoms. In the eighth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the ninth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the tenth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted body-centered cubic geometry to eight Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to seven Pb2+ atoms.
DOI: 10.17188/1678611
title: Materials Data on LaBiPd2 by Materials Project

description: LaPd2Bi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LaPd2Bi ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to two equivalent Pd atoms. Both La–Pd bond lengths are 2.34 Å. Pd is bonded in a linear geometry to one La and one Bi atom. The Pd–Bi bond length is 2.65 Å. Bi is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1678612
title: Materials Data on NbV3O8 by Materials Project

description: NbV3O8 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with six VO6 octahedra and edges with three VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Nb–O bond distances ranging from 1.92–2.17 Å. There are three inequivalent V+3.67+ sites. In the first V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent NbO6 octahedra, an edgeedge with one NbO6 octahedra, and edges with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of V–O bond distances ranging from 1.83–2.07 Å. In the second V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent NbO6 octahedra, an edgeedge with one NbO6 octahedra, and edges with four VO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of V–O bond distances ranging from 1.98–2.09 Å. In the third V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent NbO6 octahedra, an edgeedge with one NbO6 octahedra, and edges with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of V–O bond distances ranging from 1.84–2.07 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb5+ and two V+3.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Nb5+ and two V+3.67+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V+3.67+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three V+3.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb5+ and two V+3.67+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Nb5+ and two V+3.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Nb5+ and two V+3.67+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb5+ and two V+3.67+ atoms.
DOI: 10.17188/1678613
title: Materials Data on ErCoNi by Materials Project

description: ErCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. There are four shorter (2.93 Å) and two longer (2.94 Å) Er–Co bond lengths. There are four shorter (2.92 Å) and two longer (2.96 Å) Er–Ni bond lengths. Co is bonded to six equivalent Er, two equivalent Co, and four equivalent Ni atoms to form CoEr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Co4Ni2 cuboctahedra, corners with ten equivalent CoEr6Co2Ni4 cuboctahedra, edges with six equivalent CoEr6Co2Ni4 cuboctahedra, faces with six equivalent CoEr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.50 Å. All Co–Ni bond lengths are 2.51 Å. Ni is bonded to six equivalent Er, four equivalent Co, and two equivalent Ni atoms to form NiEr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoEr6Co2Ni4 cuboctahedra, corners with ten equivalent NiEr6Co4Ni2 cuboctahedra, edges with six equivalent NiEr6Co4Ni2 cuboctahedra, faces with six equivalent NiEr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoEr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.49 Å.
DOI: 10.17188/1678614
title: Materials Data on PmAs3 by Materials Project

description: PmAs3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pm3+ is bonded to twelve As1- atoms to form a mixture of corner, edge, and face-sharing PmAs12 cuboctahedra. There are four shorter (2.94 Å) and eight longer (3.26 Å) Pm–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to four equivalent Pm3+ and four equivalent As1- atoms. All As–As bond lengths are 2.94 Å. In the second As1- site, As1- is bonded in a square co-planar geometry to four equivalent Pm3+ atoms.
DOI: 10.17188/1678615
title: Materials Data on Sn(NF2)4 by Materials Project

description: SnF6(FN2)2 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of four tetrafluorostannane;dihydrofluoride molecules and eight FN2 clusters. In each FN2 cluster, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 150 degrees geometry to one N1+ and one F1- atom. The N–N bond length is 1.11 Å. The N–F bond length is 1.94 Å. In the second N1+ site, N1+ is bonded in a single-bond geometry to one N1+ atom. F1- is bonded in a single-bond geometry to one N1+ atom.
DOI: 10.17188/1678616
title: Materials Data on Mn3Sb(PO4)4 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: 10.17188/1678617
title: Materials Data on Cr2AgS4 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: 10.17188/1678618
title: Materials Data on CaUF6 by Materials Project

description: CaUF6 is Sodium arsenide-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca2+ is bonded to eleven F1- atoms to form distorted face-sharing CaF11 trigonal bipyramids. There are a spread of Ca–F bond distances ranging from 2.35–2.76 Å. U4+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of U–F bond distances ranging from 2.14–2.65 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ca2+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent U4+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Ca2+ and three equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Ca2+ and one U4+ atom.
DOI: 10.17188/1678619
title: Materials Data on Mn3Si6N11 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: 10.17188/1678620
title: Materials Data on LiCr(GeO3)2 by Materials Project

description: LiCrGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.16–2.44 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.95–2.10 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent CrO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–63°. There are a spread of Ge–O bond distances ranging from 1.73–1.79 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Cr3+, and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OLiCr2Ge tetrahedra. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Cr3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1678622
title: Materials Data on AlAg(PSe3)2 by Materials Project

description: AgAl(PSe3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one AgAl(PSe3)2 sheet oriented in the (0, 0, 1) direction. Ag1+ is bonded to six Se2- atoms to form AgSe6 octahedra that share edges with three equivalent AlSe6 octahedra. There are two shorter (2.91 Å) and four longer (2.92 Å) Ag–Se bond lengths. Al3+ is bonded to six Se2- atoms to form AlSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Al–Se bond lengths are 2.60 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.24 Å) and one longer (2.25 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to one Ag1+, one Al3+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one Ag1+, one Al3+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to one Ag1+, one Al3+, and one P4+ atom.
DOI: 10.17188/1678623
title: Materials Data on K2TeSO10 by Materials Project

description: K2TeSO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a distorted body-centered cubic geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.80–3.20 Å. In the second K site, K is bonded to eight O atoms to form distorted KO8 hexagonal bipyramids that share corners with three TeO6 octahedra, a cornercorner with one SO4 tetrahedra, an edgeedge with one KO8 hexagonal bipyramid, an edgeedge with one TeO6 octahedra, and an edgeedge with one SO4 tetrahedra. The corner-sharing octahedra tilt angles range from 33–48°. There are a spread of K–O bond distances ranging from 2.73–3.13 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded to six O atoms to form TeO6 octahedra that share corners with four equivalent KO8 hexagonal bipyramids and edges with two equivalent KO8 hexagonal bipyramids. There is four shorter (1.93 Å) and two longer (1.94 Å) Te–O bond length. In the second Te site, Te is bonded to six O atoms to form TeO6 octahedra that share corners with two equivalent KO8 hexagonal bipyramids. There are a spread of Te–O bond distances ranging from 1.92–1.95 Å. S is bonded to four O atoms to form SO4 tetrahedra that share a cornercorner with one KO8 hexagonal bipyramid and an edgeedge with one KO8 hexagonal bipyramid. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent K and one Te atom. In the second O site, O is bonded in a bent 150 degrees geometry to one K and one Te atom. In the third O site, O is bonded in a 3-coordinate geometry to two K and one Te atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent K and one Te atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one K and one Te atom. In the sixth O site, O is bonded in a 1-coordinate geometry to two K and one Te atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one K and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one K and one S atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two K and one S atom.
DOI: 10.17188/1678624
title: Materials Data on Li4Ni3Sb(PO4)4 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: 10.17188/1678625
title: Materials Data on LiFeF4 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: 10.17188/1678627
title: Materials Data on Cs2U6Pd4S17 by Materials Project

description: Cs2U6Pd4S17 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Cs–S bond distances ranging from 3.39–3.70 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of U–S bond distances ranging from 2.66–2.80 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.72 Å) and four longer (2.95 Å) U–S bond lengths. Pd2+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are two shorter (2.37 Å) and two longer (2.40 Å) Pd–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to one Cs1+, two U4+, and one Pd2+ atom to form a mixture of distorted edge and corner-sharing SCsU2Pd trigonal pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Cs1+, three U4+, and one Pd2+ atom. In the third S2- site, S2- is bonded in a distorted square co-planar geometry to two equivalent Cs1+ and four equivalent U4+ atoms.
DOI: 10.17188/1678628
title: Materials Data on YCoSi by Materials Project

description: YCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. There are a spread of Y–Si bond distances ranging from 2.91–3.15 Å. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.37–2.60 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Y3+ and four equivalent Co1+ atoms.
DOI: 10.17188/1678629
title: Materials Data on Ca(TmS2)2 by Materials Project

description: Ca(TmS2)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ca–S bond distances ranging from 2.77–3.22 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 8–54°. There are a spread of Tm–S bond distances ranging from 2.63–2.76 Å. In the second Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 8–54°. There are a spread of Tm–S bond distances ranging from 2.64–2.77 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ca2+ and two Tm3+ atoms to form distorted SCa2Tm2 tetrahedra that share corners with two equivalent SCaTm4 square pyramids, corners with two equivalent SCa2Tm2 tetrahedra, corners with ten SCa2Tm3 trigonal bipyramids, edges with two equivalent SCaTm4 square pyramids, and edges with two SCa2Tm3 trigonal bipyramids. In the second S2- site, S2- is bonded to two equivalent Ca2+ and three Tm3+ atoms to form distorted SCa2Tm3 trigonal bipyramids that share corners with two equivalent SCaTm4 square pyramids, corners with five equivalent SCa2Tm2 tetrahedra, corners with two equivalent SCa2Tm3 trigonal bipyramids, edges with three equivalent SCaTm4 square pyramids, an edgeedge with one SCa2Tm2 tetrahedra, and edges with five SCa2Tm3 trigonal bipyramids. In the third S2- site, S2- is bonded to two equivalent Ca2+ and three Tm3+ atoms to form distorted SCa2Tm3 trigonal bipyramids that share corners with six equivalent SCaTm4 square pyramids, corners with five equivalent SCa2Tm2 tetrahedra, corners with two equivalent SCa2Tm3 trigonal bipyramids, an edgeedge with one SCaTm4 square pyramid, an edgeedge with one SCa2Tm2 tetrahedra, and edges with five SCa2Tm3 trigonal bipyramids. In the fourth S2- site, S2- is bonded to one Ca2+ and four Tm3+ atoms to form distorted SCaTm4 square pyramids that share corners with two equivalent SCa2Tm2 tetrahedra, corners with eight SCa2Tm3 trigonal bipyramids, edges with two equivalent SCaTm4 square pyramids, edges with two equivalent SCa2Tm2 tetrahedra, and edges with four SCa2Tm3 trigonal bipyramids.
DOI: 10.17188/1678632
title: Materials Data on Li2FeSiO4 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: 10.17188/1678634
title: Materials Data on Mn6O5F7 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: 10.17188/1678635
title: Materials Data on SmAsO2 by Materials Project

description: SmAsO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent O2- atoms to form edge-sharing SmO6 octahedra. There are two shorter (2.38 Å) and four longer (2.40 Å) Sm–O bond lengths. As2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) As–O bond lengths. O2- is bonded to three equivalent Sm2+ and two equivalent As2+ atoms to form a mixture of distorted edge and corner-sharing OSm3As2 trigonal bipyramids.