cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1713707
title: Materials Data on Li4V(TeO4)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: 10.17188/1713708
title: Materials Data on Na2HgAuF6 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: 10.17188/1713709
title: Materials Data on SrGa by Materials Project

description: SrGa crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sr–Ga bond distances ranging from 3.28–3.68 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Sr–Ga bond distances ranging from 3.31–3.58 Å. In the third Sr site, Sr is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.38 Å) and three longer (3.42 Å) Sr–Ga bond lengths. In the fourth Sr site, Sr is bonded in a 1-coordinate geometry to seven Ga atoms. There are a spread of Sr–Ga bond distances ranging from 3.09–3.51 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Sr and three Ga atoms. There are two shorter (2.72 Å) and one longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.82 Å. In the third Ga site, Ga is bonded in a 7-coordinate geometry to seven Sr atoms. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Sr and three equivalent Ga atoms.
DOI: 10.17188/1713710
title: Materials Data on MgPaAu2 by Materials Project

description: MgPaAu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Mg–Au bond lengths are 3.03 Å. Pa is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pa–Au bond lengths are 3.03 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pa atoms.
DOI: 10.17188/1713711
title: Materials Data on Na2CrNiF7 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: 10.17188/1713712
title: Materials Data on Na2CO6 by Materials Project

description: Na2CO6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form distorted corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of Na–O bond distances ranging from 2.28–2.56 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.27–2.84 Å. In the third Na site, Na is bonded to six O atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.38–2.70 Å. In the fourth Na site, Na is bonded to six O atoms to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of Na–O bond distances ranging from 2.37–2.75 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 two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. There are twelve inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two Na and one O atom. The O–O bond length is 1.27 Å. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Na and one O atom. The O–O bond length is 1.26 Å. In the third O site, O is bonded in a trigonal planar geometry to two Na and one O atom. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to two Na and one O atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two Na and one C atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two Na and one C atom. In the seventh O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. The O–O bond length is 1.27 Å. In the eighth O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. In the ninth O site, O is bonded in a distorted trigonal non-coplanar geometry to two Na and one C atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two Na and one C atom. In the eleventh O site, O is bonded in a 3-coordinate geometry to two Na and one C atom. In the twelfth O site, O is bonded in a 3-coordinate geometry to two Na and one C atom.
DOI: 10.17188/1713713
title: Materials Data on Li3V4FeO8 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: 10.17188/1713714
title: Materials Data on Zr6BH42C12I13O12 by Materials Project

description: Zr6BC6H18(OI2)6(CH3OH)6I crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three hydriodic acid molecules, eighteen methanol molecules, and three Zr6BC6H18(OI2)6 clusters. In each Zr6BC6H18(OI2)6 cluster, Zr is bonded in a distorted single-bond geometry to one B, one O, and four I atoms. The Zr–B bond length is 2.69 Å. The Zr–O bond length is 1.93 Å. There are two shorter (2.91 Å) and two longer (2.95 Å) Zr–I bond lengths. B is bonded in an octahedral geometry to six equivalent Zr atoms. C is bonded in a tetrahedral geometry to three H and one O atom. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.41 Å. There are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C atom. In the second H site, H is bonded in a single-bond geometry to one C atom. In the third H site, H is bonded in a single-bond geometry to one C atom. O is bonded in a bent 150 degrees geometry to one Zr and one C atom. There are two inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two equivalent Zr atoms. In the second I site, I is bonded in an L-shaped geometry to two equivalent Zr atoms.
DOI: 10.17188/1713715
title: Materials Data on NbPO5 by Materials Project

description: NbOPO4 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of one NbO3 ribbon oriented in the (1, 0, 0) direction and one PO2 ribbon oriented in the (1, 0, 0) direction. In the NbO3 ribbon, Nb5+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.88 Å) and four longer (1.97 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Nb5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Nb5+ atoms. In the PO2 ribbon, P5+ is bonded in a see-saw-like geometry to four equivalent O2- atoms. There is two shorter (1.61 Å) and two longer (1.77 Å) P–O bond length. O2- is bonded in a water-like geometry to two equivalent P5+ atoms.
DOI: 10.17188/1713716
title: Materials Data on Y2P7Rh12 by Materials Project

description: Y2Rh12P7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Y is bonded to six equivalent Rh and six equivalent P atoms to form distorted YP6Rh6 cuboctahedra that share corners with twelve equivalent RhP4 tetrahedra, edges with three equivalent RhP4 tetrahedra, and faces with two equivalent YP6Rh6 cuboctahedra. All Y–Rh bond lengths are 3.05 Å. There are three shorter (3.02 Å) and three longer (3.04 Å) Y–P bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Y and four equivalent P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.59 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent YP6Rh6 cuboctahedra, corners with seven equivalent RhP4 tetrahedra, an edgeedge with one YP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.34–2.50 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted octahedral geometry to six equivalent Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Y and seven Rh atoms.
DOI: 10.17188/1713718
title: Materials Data on Ba4Li(BiO4)3 by Materials Project

description: LiBa4(BiO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.26 Å. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent LiO6 octahedra, and faces with six equivalent BiO6 octahedra. There are six shorter (3.05 Å) and six longer (3.06 Å) Ba–O bond lengths. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent BiO6 octahedra, and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.06 Å) and four longer (2.16 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Li1+, four equivalent Ba2+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Bi5+ atoms.
DOI: 10.17188/1713719
title: Materials Data on Ba3Ti2(O3F5)2 by Materials Project

description: Ba3Ti2(O3F5)2 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 10-coordinate geometry to six O and four F atoms. There are a spread of Ba–O bond distances ranging from 2.85–3.15 Å. There are a spread of Ba–F bond distances ranging from 2.63–2.77 Å. In the second Ba site, Ba is bonded to twelve F atoms to form distorted BaF12 cuboctahedra that share faces with two equivalent BaF12 cuboctahedra and faces with four equivalent TiO2F5 pentagonal bipyramids. There are a spread of Ba–F bond distances ranging from 2.75–3.05 Å. Ti is bonded to two equivalent O and five F atoms to form distorted TiO2F5 pentagonal bipyramids that share faces with two equivalent BaF12 cuboctahedra. Both Ti–O bond lengths are 1.99 Å. There are a spread of Ti–F bond distances ranging from 1.87–2.12 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Ba atoms. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Ba, one Ti, and one O atom. The O–O bond length is 1.43 Å. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to two equivalent Ba and one Ti atom. In the second F site, F is bonded in a distorted trigonal non-coplanar geometry to two Ba and one Ti atom. In the third F site, F is bonded to three Ba and one Ti atom to form a mixture of distorted edge and corner-sharing FBa3Ti tetrahedra. In the fourth F site, F is bonded in a distorted single-bond geometry to one Ba and one Ti atom.
DOI: 10.17188/1713720
title: Materials Data on K4N2O5 by Materials Project

description: K4N2O5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with four equivalent KO7 hexagonal pyramids, corners with two equivalent KO6 octahedra, and faces with four equivalent KO7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.57 Å) and four longer (3.04 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent O2- atoms. Both K–O bond lengths are 2.69 Å. In the third K1+ site, K1+ is bonded to seven O2- atoms to form distorted KO7 hexagonal pyramids that share a cornercorner with one KO7 hexagonal pyramid, corners with two equivalent KO6 octahedra, edges with six equivalent KO7 hexagonal pyramids, and faces with two equivalent KO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are a spread of K–O bond distances ranging from 2.64–3.03 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six K1+ atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one N3+ atom.
DOI: 10.17188/1713721
title: Materials Data on Li4Mn2(PO4)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: 10.17188/1713723
title: Materials Data on VCr3O8 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: 10.17188/1713724
title: Materials Data on Sb3(WO3)20 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: 10.17188/1713725
title: Materials Data on VZnPbO5 by Materials Project

description: VZnPbO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 46–59°. There are a spread of V–O bond distances ranging from 1.69–1.79 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent ZnO6 octahedra. There are two shorter (1.96 Å) and four longer (2.20 Å) Zn–O bond lengths. Pb4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.32–2.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one V4+, one Zn2+, and two equivalent Pb4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one V4+ and one Pb4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one V4+, two equivalent Zn2+, and one Pb4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn2+ and one Pb4+ atom.
DOI: 10.17188/1713726
title: Materials Data on Sr2Mg by Materials Project

description: Sr2Mg1 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Sr2Mg1 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to four equivalent Mg atoms. There are two shorter (3.55 Å) and two longer (3.68 Å) Sr–Mg bond lengths. In the second Sr site, Sr is bonded in a 12-coordinate geometry to two equivalent Mg atoms. Both Sr–Mg bond lengths are 3.69 Å. Mg is bonded in a distorted hexagonal planar geometry to six Sr atoms.
DOI: 10.17188/1713727
title: Materials Data on RbCu3SiSe4 by Materials Project

description: RbCu3SiSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Rb1+ is bonded to four equivalent Se2- atoms to form RbSe4 tetrahedra that share corners with four equivalent SiSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Rb–Se bond lengths are 3.13 Å. Cu1+ is bonded to four equivalent Se2- atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent SiSe4 tetrahedra. All Cu–Se bond lengths are 2.59 Å. Si4+ is bonded to four equivalent Se2- atoms to form SiSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Si–Se bond lengths are 2.26 Å. Se2- is bonded to one Rb1+, three equivalent Cu1+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing SeRbCu3Si trigonal bipyramids.
DOI: 10.17188/1713728
title: Materials Data on Nd2AlGe6 by Materials Project

description: Nd2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.38 Å) and one longer (3.40 Å) Nd–Al bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.14–3.39 Å. Al is bonded in a 5-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.54–2.65 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Nd, one Al, and two Ge atoms. There are one shorter (2.57 Å) and one longer (2.60 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Nd and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Nd, one Al, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.50–2.58 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Nd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.50 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Nd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å.
DOI: 10.17188/1713729
title: Materials Data on BaLaTiCuO6 by Materials Project

description: BaLaTiCuO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent TiO6 octahedra, and faces with four equivalent CuO6 octahedra. All Ba–O bond lengths are 2.81 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent TiO6 octahedra, and faces with four equivalent CuO6 octahedra. All La–O bond lengths are 2.81 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CuO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.96 Å. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent TiO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, one Ti4+, and one Cu3+ atom.
DOI: 10.17188/1713730
title: Materials Data on LiCu3(SiO3)2 by Materials Project

description: LiCu3(SiO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share edges with six equivalent SiO6 octahedra. There are four shorter (2.03 Å) and two longer (2.04 Å) Li–O bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.89 Å. In the second Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.88 Å. Si4+ is bonded to six O2- atoms to form SiO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent SiO6 octahedra. All Si–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, one Cu1+, and two equivalent Si4+ atoms to form a mixture of distorted edge and corner-sharing OLiCuSi2 trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+, one Cu1+, and two equivalent Si4+ atoms to form a mixture of distorted edge and corner-sharing OLiCuSi2 trigonal pyramids.
DOI: 10.17188/1713731
title: Materials Data on K2Cd(C2O5)2 by Materials Project

description: K2Cd(C2O5)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.18 Å. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.44 Å) Cd–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Cd2+, one C4+, and one O2- atom. The O–O bond length is 2.35 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent K1+ and two O2- atoms. The O–O bond length is 3.01 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Cd2+, one C4+, and one O2- atom.