cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1717682
title: Materials Data on In2CuS4 by Materials Project

description: CuIn2S4 is Spinel structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cu–S bond lengths are 2.32 Å. In the second Cu2+ site, Cu2+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cu–S bond lengths are 2.32 Å. In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with six CuS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.64 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Cu2+ and three equivalent In3+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Cu2+ and three equivalent In3+ atoms.
DOI: 10.17188/1717683
title: Materials Data on CoSnC4Cl3O4 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: 10.17188/1717685
title: Materials Data on MnNb4O12 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: 10.17188/1717686
title: Materials Data on Li2MgCr3(SO4)6 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: 10.17188/1717688
title: Materials Data on PrNiAs by Materials Project

description: PrNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing PrNi6As6 cuboctahedra. All Pr–Ni bond lengths are 3.14 Å. All Pr–As bond lengths are 3.15 Å. In the second Pr site, Pr is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing PrNi6As6 cuboctahedra. All Pr–Ni bond lengths are 3.16 Å. All Pr–As bond lengths are 3.14 Å. Ni is bonded in a 3-coordinate geometry to six Pr and three equivalent As atoms. All Ni–As bond lengths are 2.39 Å. As is bonded in a 3-coordinate geometry to six Pr and three equivalent Ni atoms.
DOI: 10.17188/1717689
title: Materials Data on LiOs2W by Materials Project

description: LiWOs2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiWOs2 ribbons oriented in the (1, 0, 0) direction. Li1+ is bonded in a linear geometry to two equivalent Os+1.50- atoms. Both Li–Os bond lengths are 2.69 Å. W2+ is bonded in a linear geometry to two equivalent Os+1.50- atoms. Both W–Os bond lengths are 2.20 Å. Os+1.50- is bonded in a linear geometry to one Li1+ and one W2+ atom.
DOI: 10.17188/1717690
title: Materials Data on BaH2(CO3)2 by Materials Project

description: Ba(HO2)2(CO)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two formaldehyde molecules and one Ba(HO2)2 sheet oriented in the (0, 0, 1) direction. In the Ba(HO2)2 sheet, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–2.83 Å. There are two inequivalent H1+ sites. In the first 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 second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Ba2+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Ba2+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Ba2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Ba2+ and one H1+ atom.
DOI: 10.17188/1717691
title: Materials Data on Pr(BrO2)3 by Materials Project

description: PrO4Br3O2 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and two PrO4Br3 ribbons oriented in the (1, 0, 0) direction. In each PrO4Br3 ribbon, Pr3+ is bonded in a tetrahedral geometry to four O2- atoms. There are two shorter (2.24 Å) and two longer (2.38 Å) Pr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pr3+ and one Br3+ atom. The O–Br bond length is 1.83 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Br3+ atom. The O–Br bond length is 1.75 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a water-like geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a single-bond geometry to one O2- atom.
DOI: 10.17188/1717692
title: Materials Data on Yb2B6Rh by Materials Project

description: Yb2RhB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to three equivalent Rh and fourteen B atoms. There are a spread of Yb–Rh bond distances ranging from 3.05–3.16 Å. There are a spread of Yb–B bond distances ranging from 2.75–2.87 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to two equivalent Rh and twelve B atoms. There are one shorter (2.78 Å) and one longer (2.80 Å) Yb–Rh bond lengths. There are a spread of Yb–B bond distances ranging from 2.57–2.61 Å. Rh is bonded in a 12-coordinate geometry to five Yb and ten B atoms. There are a spread of Rh–B bond distances ranging from 2.35–2.40 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Yb and three B atoms. There is one shorter (1.81 Å) and two longer (1.86 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four Yb, two equivalent Rh, and three B atoms. There is one shorter (1.72 Å) and one longer (1.77 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Yb, two equivalent Rh, and three B atoms. There are a spread of B–B bond distances ranging from 1.76–1.85 Å. In the fourth B site, B is bonded in a 9-coordinate geometry to four Yb, two equivalent Rh, and three B atoms. The B–B bond length is 1.86 Å. In the fifth B site, B is bonded in a 9-coordinate geometry to four Yb, two equivalent Rh, and three B atoms. The B–B bond length is 1.79 Å. In the sixth B site, B is bonded in a 9-coordinate geometry to four Yb, two equivalent Rh, and three B atoms.
DOI: 10.17188/1717693
title: Materials Data on Mg2TiW3S8 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: 10.17188/1717694
title: Materials Data on Ho3Bi by Materials Project

description: Ho3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Bi atoms to form distorted HoHo8Bi4 cuboctahedra that share corners with twelve equivalent HoHo8Bi4 cuboctahedra, edges with eight equivalent BiHo12 cuboctahedra, edges with sixteen equivalent HoHo8Bi4 cuboctahedra, faces with four equivalent BiHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Bi4 cuboctahedra. All Ho–Ho bond lengths are 3.43 Å. All Ho–Bi bond lengths are 3.43 Å. Bi is bonded to twelve equivalent Ho atoms to form BiHo12 cuboctahedra that share corners with twelve equivalent BiHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Bi4 cuboctahedra, faces with six equivalent BiHo12 cuboctahedra, and faces with twelve equivalent HoHo8Bi4 cuboctahedra.
DOI: 10.17188/1717695
title: Materials Data on SrLiNdCoO4 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: 10.17188/1717696
title: Materials Data on La2C(NO)2 by Materials Project

description: La2O2CN2 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent O2- atoms. There are two shorter (2.82 Å) and two longer (2.98 Å) La–N bond lengths. There are two shorter (2.38 Å) and two longer (2.41 Å) La–O bond lengths. C4+ is bonded in an L-shaped geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.35 Å. N3- is bonded in a distorted single-bond geometry to four equivalent La3+ and one C4+ atom. O2- is bonded to four equivalent La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.
DOI: 10.17188/1717697
title: Materials Data on CsYbO3 by Materials Project

description: CsYbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent YbO6 octahedra. All Cs–O bond lengths are 3.25 Å. Yb is bonded to six equivalent O atoms to form YbO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.30 Å. O is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Yb atoms.
DOI: 10.17188/1717698
title: Materials Data on Cs3Zr7MnCl20 by Materials Project

description: Cs3Zr7MnCl20 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with four equivalent CsCl12 cuboctahedra, corners with six equivalent ZrMnCl5 octahedra, edges with four equivalent CsCl12 cuboctahedra, edges with two equivalent ZrMnCl5 octahedra, edges with two equivalent ZrCl5 trigonal bipyramids, and faces with two equivalent ZrMnCl5 octahedra. The corner-sharing octahedra tilt angles range from 16–46°. There are a spread of Cs–Cl bond distances ranging from 3.69–4.03 Å. There are two inequivalent Zr+2.14+ sites. In the first Zr+2.14+ site, Zr+2.14+ is bonded to one Mn2+ and five Cl1- atoms to form ZrMnCl5 octahedra that share corners with three equivalent CsCl12 cuboctahedra, corners with two equivalent ZrMnCl5 octahedra, an edgeedge with one CsCl12 cuboctahedra, edges with four equivalent ZrMnCl5 octahedra, and a faceface with one CsCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–45°. The Zr–Mn bond length is 2.44 Å. There are a spread of Zr–Cl bond distances ranging from 2.59–2.84 Å. In the second Zr+2.14+ site, Zr+2.14+ is bonded to five Cl1- atoms to form ZrCl5 trigonal bipyramids that share edges with six equivalent CsCl12 cuboctahedra. There are three shorter (2.40 Å) and two longer (2.48 Å) Zr–Cl bond lengths. Mn2+ is bonded in an octahedral geometry to six equivalent Zr+2.14+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Zr+2.14+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Cs1+ and two equivalent Zr+2.14+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Zr+2.14+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cs1+ and two equivalent Zr+2.14+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent Zr+2.14+ atoms.
DOI: 10.17188/1717699
title: Materials Data on Li3MnVP2(HO5)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: 10.17188/1717700
title: Materials Data on CdBi3 by Materials Project

description: CdBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cd is bonded to twelve Bi atoms to form CdBi12 cuboctahedra that share corners with four equivalent CdBi12 cuboctahedra, corners with eight equivalent BiCd4Bi8 cuboctahedra, edges with eight equivalent CdBi12 cuboctahedra, edges with sixteen equivalent BiCd4Bi8 cuboctahedra, faces with four equivalent CdBi12 cuboctahedra, and faces with fourteen BiCd4Bi8 cuboctahedra. There are eight shorter (3.47 Å) and four longer (3.59 Å) Cd–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Cd and eight Bi atoms to form distorted BiCd4Bi8 cuboctahedra that share corners with twelve equivalent BiCd4Bi8 cuboctahedra, edges with eight equivalent CdBi12 cuboctahedra, edges with sixteen BiCd4Bi8 cuboctahedra, faces with four equivalent CdBi12 cuboctahedra, and faces with fourteen BiCd4Bi8 cuboctahedra. There are four shorter (3.47 Å) and four longer (3.59 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded to four equivalent Cd and eight equivalent Bi atoms to form BiCd4Bi8 cuboctahedra that share corners with four equivalent BiCd4Bi8 cuboctahedra, corners with eight equivalent CdBi12 cuboctahedra, edges with twenty-four BiCd4Bi8 cuboctahedra, faces with six equivalent CdBi12 cuboctahedra, and faces with twelve BiCd4Bi8 cuboctahedra.
DOI: 10.17188/1717701
title: Materials Data on Ac3Br by Materials Project

description: Ac3Br crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded in a 4-coordinate geometry to four equivalent Br atoms. There are two shorter (3.68 Å) and two longer (3.97 Å) Ac–Br bond lengths. Br is bonded to twelve equivalent Ac atoms to form a mixture of face and corner-sharing BrAc12 cuboctahedra.
DOI: 10.17188/1717702
title: Materials Data on LiFe(GeO3)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: 10.17188/1717703
title: Materials Data on V2FeGe by Materials Project

description: V2FeGe is beta Uranium-derived structured and crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six V, four equivalent Fe, and four equivalent Ge atoms. There are a spread of V–V bond distances ranging from 2.31–2.91 Å. There are two shorter (2.82 Å) and two longer (2.90 Å) V–Fe bond lengths. There are two shorter (2.60 Å) and two longer (2.61 Å) V–Ge bond lengths. In the second V site, V is bonded in a 6-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ge atoms. There are a spread of V–Fe bond distances ranging from 2.29–2.82 Å. There are a spread of V–Ge bond distances ranging from 2.59–2.63 Å. Fe is bonded in a 2-coordinate geometry to eight V, two equivalent Fe, and four equivalent Ge atoms. Both Fe–Fe bond lengths are 2.87 Å. There are a spread of Fe–Ge bond distances ranging from 2.57–2.61 Å. Ge is bonded to eight V and four equivalent Fe atoms to form a mixture of edge and face-sharing GeV8Fe4 cuboctahedra.
DOI: 10.17188/1717704
title: Materials Data on Sm2I2O by Materials Project

description: Sm2OI2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Sm2OI2 cluster. Sm2+ is bonded in a linear geometry to one O2- and one I1- atom. The Sm–O bond length is 2.10 Å. The Sm–I bond length is 3.02 Å. O2- is bonded in a linear geometry to two equivalent Sm2+ atoms. I1- is bonded in a single-bond geometry to one Sm2+ atom.
DOI: 10.17188/1717705
title: Materials Data on Na2U(WO5)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: 10.17188/1717706
title: Materials Data on NaBH4 by Materials Project

description: NaBH4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven H+0.50+ atoms. There are a spread of Na–H bond distances ranging from 2.26–2.49 Å. In the second Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine H+0.50+ atoms. There are a spread of Na–H bond distances ranging from 2.28–2.54 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. There is one shorter (1.22 Å) and three longer (1.23 Å) B–H bond length. In the second B3- site, B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. All B–H bond lengths are 1.23 Å. There are six inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two Na1+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two Na1+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two equivalent Na1+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two Na1+ and one B3- atom. In the fifth H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two equivalent Na1+ and one B3- atom. In the sixth H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two equivalent Na1+ and one B3- atom.
DOI: 10.17188/1717707
title: Materials Data on CrW by Materials Project

description: CrW crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two CrW sheets oriented in the (0, 1, 0) direction. W is bonded in a 4-coordinate geometry to four equivalent Cr atoms. All W–Cr bond lengths are 2.60 Å. Cr is bonded in a 4-coordinate geometry to four equivalent W atoms.
DOI: 10.17188/1717708
title: Materials Data on TeSeO4 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: 10.17188/1717709
title: Materials Data on AlOF 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: 10.17188/1717710
title: Materials Data on SrGaGe by Materials Project

description: Sr(GaGe) is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing SrGa6Ge6 cuboctahedra. All Sr–Ga bond lengths are 3.44 Å. All Sr–Ge bond lengths are 3.44 Å. Ga is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Ge atoms. All Ga–Ge bond lengths are 2.51 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Sr and three equivalent Ga atoms.
DOI: 10.17188/1717711
title: Materials Data on Hg3(ClO5)2 by Materials Project

description: Hg3O2(ClO4)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ClO4 clusters and four Hg3O2 clusters. In each ClO4 cluster, there are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In each Hg3O2 cluster, there are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a single-bond geometry to one O atom. The Hg–O bond length is 2.13 Å. In the second Hg site, Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 1.97 Å. O is bonded in a bent 120 degrees geometry to two Hg atoms.
DOI: 10.17188/1717712
title: Materials Data on Cr(PO3)3 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: 10.17188/1717714
title: Materials Data on LiCd2Cu by Materials Project

description: LiCuCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiCuCd2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Cd atoms. Both Li–Cd bond lengths are 2.81 Å. Cu is bonded in a linear geometry to two equivalent Cd atoms. Both Cu–Cd bond lengths are 2.56 Å. Cd is bonded in a linear geometry to one Li and one Cu atom.
DOI: 10.17188/1717715
title: Materials Data on Li2Fe3(P2O7)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1717716
title: Materials Data on Cd2AsO2 by Materials Project

description: Cd2AsO2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cd is bonded in a 2-coordinate geometry to two equivalent O atoms. There are one shorter (2.38 Å) and one longer (2.57 Å) Cd–O bond lengths. As is bonded in a distorted linear geometry to two equivalent O atoms. Both As–O bond lengths are 2.13 Å. O is bonded in a 4-coordinate geometry to two equivalent Cd, one As, and one O atom. The O–O bond length is 1.49 Å.