cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1317091
title: Materials Data on AgBiO2 by Materials Project

description: AgBiO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.09 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.08 Å. Bi3+ is bonded to six O2- atoms to form distorted edge-sharing BiO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.20–2.90 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ag1+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OAgBi3 tetrahedra. In the second O2- site, O2- is bonded to one Ag1+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OAgBi3 trigonal pyramids.
DOI: 10.17188/1317092
title: Materials Data on CuPdO2 by Materials Project

description: PdCuO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OCu2Pd2 tetrahedra.
DOI: 10.17188/1317093
title: Materials Data on CuHgO2 by Materials Project

description: CuHgO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two CuHgO2 sheets oriented in the (1, 0, 0) direction. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.94 Å. Hg2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.09 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Hg2+ atom.
DOI: 10.17188/1317094
title: Materials Data on CuAgO2 by Materials Project

description: AgCuO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ag1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.26 Å. Cu3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.90 Å. O2- is bonded to two equivalent Ag1+ and two equivalent Cu3+ atoms to form a mixture of distorted edge and corner-sharing OCu2Ag2 tetrahedra.
DOI: 10.17188/1317095
title: Materials Data on AgAuO2 by Materials Project

description: AuAgO2 crystallizes in the tetragonal I4_122 space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.10 Å. Ag1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.26 Å. O2- is bonded to two equivalent Au3+ and two equivalent Ag1+ atoms to form a mixture of edge and corner-sharing OAg2Au2 tetrahedra.
DOI: 10.17188/1317096
title: Materials Data on CuAuO2 by Materials Project

description: AuCuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Au3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. Cu1+ is bonded to six equivalent O2- atoms to form distorted edge-sharing CuO6 octahedra. There are four shorter (1.90 Å) and two longer (2.67 Å) Cu–O bond lengths. O2- is bonded in a 4-coordinate geometry to one Au3+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1317097
title: Materials Data on BaAgO2 by Materials Project

description: BaAgO2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.63–2.96 Å. Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.11–2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Ba2+ and one Ag2+ atom to form distorted OBa5Ag octahedra that share corners with four equivalent OBa5Ag octahedra, corners with seven equivalent OBa2Ag3 trigonal bipyramids, edges with eight equivalent OBa5Ag octahedra, and faces with two equivalent OBa2Ag3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the second O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Ag2+ atoms to form OBa2Ag3 trigonal bipyramids that share corners with seven equivalent OBa5Ag octahedra, corners with four equivalent OBa2Ag3 trigonal bipyramids, edges with two equivalent OBa2Ag3 trigonal bipyramids, and faces with two equivalent OBa5Ag octahedra. The corner-sharing octahedra tilt angles range from 0–58°.
DOI: 10.17188/1317098
title: Materials Data on AgAuO2 by Materials Project

description: AuAgO2 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.05 Å. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.34 Å. O2- is bonded to two equivalent Au3+ and two equivalent Ag1+ atoms to form a mixture of distorted corner and edge-sharing OAg2Au2 tetrahedra.
DOI: 10.17188/1317099
title: Materials Data on TlAuO2 by Materials Project

description: AuTlO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Au3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. Tl1+ is bonded to six equivalent O2- atoms to form edge-sharing TlO6 octahedra. All Tl–O bond lengths are 2.33 Å. O2- is bonded to one Au3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing OTl3Au tetrahedra.
DOI: 10.17188/1317100
title: Materials Data on AgBiO2 by Materials Project

description: AgBiO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.09 Å. Bi3+ is bonded to six equivalent O2- atoms to form edge-sharing BiO6 octahedra. All Bi–O bond lengths are 2.41 Å. O2- is bonded to one Ag1+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OAgBi3 tetrahedra.
DOI: 10.17188/1317101
title: Materials Data on AgAuO2 by Materials Project

description: AuAgO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Au–O bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.18 Å) and two longer (2.67 Å) Ag–O bond lengths. O2- is bonded to two equivalent Au3+ and two equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing OAg2Au2 tetrahedra.
DOI: 10.17188/1317102
title: Materials Data on AgClO2 by Materials Project

description: AgClO2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one hydrogen peroxide molecule and one AgCl sheet oriented in the (0, 0, 1) direction. In the AgCl sheet, Ag is bonded in a trigonal planar geometry to three equivalent Cl atoms. There are one shorter (2.50 Å) and two longer (2.53 Å) Ag–Cl bond lengths. Cl is bonded in a trigonal planar geometry to three equivalent Ag atoms.
DOI: 10.17188/1317103
title: Materials Data on HAuO2 by Materials Project

description: AuOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of two AuOOH sheets oriented in the (0, 0, 1) direction. Au3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Au–O bond lengths. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.08 Å) and one longer (1.41 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Au3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Au3+ and one H1+ atom.
DOI: 10.17188/1317104
title: Materials Data on LiCuO2 by Materials Project

description: LiCuO2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted edge-sharing LiO6 pentagonal pyramids. There are two shorter (2.10 Å) and four longer (2.28 Å) Li–O bond lengths. Cu3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.84 Å. O2- is bonded to three equivalent Li1+ and two equivalent Cu3+ atoms to form a mixture of face, edge, and corner-sharing OLi3Cu2 trigonal bipyramids.
DOI: 10.17188/1317105
title: Materials Data on LiCuO2 by Materials Project

description: LiCuO2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with four equivalent CuO6 octahedra, corners with eight equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with four equivalent CuO6 octahedra, and faces with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are two shorter (2.15 Å) and four longer (2.22 Å) Li–O bond lengths. Cu3+ is bonded to six equivalent O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with eight equivalent CuO6 octahedra, edges with two equivalent CuO6 octahedra, edges with four equivalent LiO6 octahedra, and faces with two equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–49°. There are four shorter (1.87 Å) and two longer (2.46 Å) Cu–O bond lengths. O2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Cu3+ atoms.
DOI: 10.17188/1317106
title: Materials Data on LiAgO2 by Materials Project

description: LiAgO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.05 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of edge and corner-sharing OLi2Ag2 tetrahedra.
DOI: 10.17188/1317107
title: Materials Data on LiAgO2 by Materials Project

description: LiAgO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent OLi2AgO tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–1.97 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. In the second Ag3+ site, Ag3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Ag3+, and one O2- atom to form distorted OLi2AgO tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with seven OLi2AgO tetrahedra. The O–O bond length is 1.48 Å. In the second O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form OLi2Ag2 tetrahedra that share corners with eight OLi2AgO tetrahedra and edges with two equivalent OLi2Ag2 tetrahedra.
DOI: 10.17188/1317108
title: Materials Data on BaAgO2 by Materials Project

description: BaAgO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.86 Å. Ag2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.17 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Ag2+ atoms to form a mixture of corner, edge, and face-sharing OBa4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°.
DOI: 10.17188/1317109
title: Materials Data on LiAgO2 by Materials Project

description: LiAgO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form edge-sharing LiO6 octahedra. There are two shorter (2.10 Å) and four longer (2.27 Å) Li–O bond lengths. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.05 Å. O2- is bonded to three equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of distorted edge and corner-sharing OLi3Ag2 trigonal bipyramids.
DOI: 10.17188/1317110
title: Materials Data on CuBrO2 by Materials Project

description: CuO2Br crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two CuO2Br sheets oriented in the (1, 0, 0) direction. Cu is bonded in a square co-planar geometry to four equivalent O atoms. All Cu–O bond lengths are 1.92 Å. O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu and one Br atom. The O–Br bond length is 2.02 Å. Br is bonded in a linear geometry to two equivalent O atoms.
DOI: 10.17188/1317111
title: Materials Data on FeAuO2 by Materials Project

description: FeAuO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.06 Å. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.09 Å. O2- is bonded to three equivalent Fe3+ and one Au1+ atom to form a mixture of distorted edge and corner-sharing OFe3Au tetrahedra.
DOI: 10.17188/1317112
title: Materials Data on MnAgO2 by Materials Project

description: AgMnO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form edge-sharing MnO6 octahedra. There are four shorter (1.98 Å) and two longer (2.29 Å) Mn–O bond lengths. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. O2- is bonded to three equivalent Mn3+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing OMn3Ag tetrahedra.
DOI: 10.17188/1317113
title: Materials Data on CrAuO2 by Materials Project

description: CrAuO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form edge-sharing CrO6 octahedra. All Cr–O bond lengths are 2.03 Å. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.10 Å. O2- is bonded to three equivalent Cr3+ and one Au1+ atom to form a mixture of distorted corner and edge-sharing OCr3Au tetrahedra.
DOI: 10.17188/1317114
title: Materials Data on LiAgO2 by Materials Project

description: LiAgO2 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.05 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.03 Å. O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Ag2 tetrahedra.
DOI: 10.17188/1317115
title: Materials Data on HAuO2 by Materials Project

description: AuOOH crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four O2- atoms. All Au–O bond lengths are 2.03 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.03 Å) Au–O bond lengths. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.15 Å) and one longer (1.28 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Au3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Au3+ and one H1+ atom.
DOI: 10.17188/1317116
title: Materials Data on CuHO2 by Materials Project

description: CuHO2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Cu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Cu–O bond distances ranging from 1.97–2.06 Å. H1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. There is one shorter (1.02 Å) and one longer (1.58 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cu3+ and two equivalent H1+ atoms to form distorted OCu2H2 tetrahedra that share corners with four equivalent OCu2H2 tetrahedra, corners with six equivalent OCu4 trigonal pyramids, and an edgeedge with one OCu4 trigonal pyramid. In the second O2- site, O2- is bonded to four equivalent Cu3+ atoms to form OCu4 trigonal pyramids that share corners with six equivalent OCu2H2 tetrahedra, corners with four equivalent OCu4 trigonal pyramids, an edgeedge with one OCu2H2 tetrahedra, and edges with four equivalent OCu4 trigonal pyramids.
DOI: 10.17188/1317117
title: Materials Data on ScGe by Materials Project

description: ScGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 5-coordinate geometry to seven equivalent Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.77–3.06 Å. Ge is bonded in a 5-coordinate geometry to seven equivalent Sc and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å.
DOI: 10.17188/1317118
title: Materials Data on AgHgO2 by Materials Project

description: AgHgO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.16 Å) and two longer (2.18 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.15 Å) and two longer (2.16 Å) Ag–O bond lengths. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.08 Å) and two longer (2.72 Å) Hg–O bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.77 Å) Hg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag2+ and two Hg2+ atoms to form a mixture of distorted corner and edge-sharing OAg2Hg2 tetrahedra. In the second O2- site, O2- is bonded to two Ag2+ and two Hg2+ atoms to form a mixture of distorted corner and edge-sharing OAg2Hg2 tetrahedra.
DOI: 10.17188/1317119
title: Materials Data on AgHgO2 by Materials Project

description: AgHgO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) Ag–O bond lengths. Hg2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.06 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag2+ and one Hg2+ atom.
DOI: 10.17188/1317120
title: Materials Data on KAuO2 by Materials Project

description: KAuO2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.71 Å) and four longer (2.91 Å) K–O bond lengths. Au3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to three equivalent K1+ and two equivalent Au3+ atoms to form a mixture of edge, face, and corner-sharing OK3Au2 trigonal bipyramids.
DOI: 10.17188/1317121
title: Materials Data on LaAuO2 by Materials Project

description: LaAuO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All La–O bond lengths are 2.46 Å. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. O2- is bonded to three equivalent La3+ and one Au1+ atom to form a mixture of corner and edge-sharing OLa3Au tetrahedra.
DOI: 10.17188/1317122
title: Materials Data on CaAgO2 by Materials Project

description: CaAgO2 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with four equivalent CaO6 octahedra, and edges with eight equivalent AgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–23°. There are two shorter (2.35 Å) and four longer (2.45 Å) Ca–O bond lengths. Ag2+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four equivalent AgO6 octahedra, and edges with eight equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are a spread of Ag–O bond distances ranging from 2.15–2.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Ag2+ atoms. In the second O2- site, O2- is bonded to four equivalent Ca2+ and two equivalent Ag2+ atoms to form a mixture of edge and corner-sharing OCa4Ag2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317123
title: Materials Data on CaAgO2 by Materials Project

description: CaAgO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with four equivalent CaO6 octahedra, and edges with eight AgO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are four shorter (2.40 Å) and two longer (2.43 Å) Ca–O bond lengths. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four AgO6 octahedra, and edges with eight equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are four shorter (2.19 Å) and two longer (2.67 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four AgO6 octahedra, and edges with eight equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (2.15 Å) and four longer (2.59 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ca2+ and two Ag2+ atoms to form a mixture of distorted edge and corner-sharing OCa4Ag2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four Ag2+ atoms to form distorted OCa2Ag4 octahedra that share corners with six equivalent OCa2Ag4 octahedra and edges with twelve OCa4Ag2 octahedra. The corner-sharing octahedral tilt angles are 0°.