cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1288954
title: Materials Data on LiAg2F4 by Materials Project

description: LiAg2F4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted LiF6 octahedra that share corners with four equivalent LiF6 octahedra and edges with eight equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Li–F bond distances ranging from 1.89–2.67 Å. Ag+1.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent AgF6 octahedra, edges with four equivalent LiF6 octahedra, and edges with four equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 13–14°. There are a spread of Ag–F bond distances ranging from 2.19–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and four equivalent Ag+1.50+ atoms to form a mixture of distorted corner and edge-sharing FLiAg4 square pyramids. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to two equivalent Li1+ and two equivalent Ag+1.50+ atoms.
DOI: 10.17188/1288955
title: Materials Data on SmAgO2 by Materials Project

description: SmAgO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing SmO6 octahedra. All Sm–O bond lengths are 2.36 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.08 Å. O2- is bonded to three equivalent Sm3+ and one Ag1+ atom to form a mixture of edge and corner-sharing OSm3Ag tetrahedra.
DOI: 10.17188/1288956
title: Materials Data on Sb6O5F8 by Materials Project

description: SbF3(SbOF)5 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one SbF3 ribbon oriented in the (1, 0, 0) direction and one SbOF ribbon oriented in the (1, 0, 0) direction. In the SbF3 ribbon, Sb3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.92–2.23 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb3+ atoms. In the SbOF ribbon, there are five inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.23 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to two O2- and one F1- atom. There are one shorter (1.97 Å) and one longer (2.04 Å) Sb–O bond lengths. The Sb–F bond length is 1.96 Å. In the third Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to one O2- and two F1- atoms. The Sb–O bond length is 1.99 Å. There is one shorter (1.94 Å) and one longer (1.98 Å) Sb–F bond length. In the fourth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 2.03–2.24 Å. The Sb–F bond length is 1.97 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to two O2- and one F1- atom. There is one shorter (1.99 Å) and one longer (2.00 Å) Sb–O bond length. The Sb–F bond length is 1.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.
DOI: 10.17188/1288957
title: Materials Data on LiSnPHO5 by Materials Project

description: LiSnPHO5 crystallizes in the triclinic P-1 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 2.18–2.72 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in an octahedral geometry to two equivalent H1+ and four O2- atoms. Both Sn–H bond lengths are 2.09 Å. There are two shorter (2.26 Å) and two longer (2.50 Å) Sn–O bond lengths. In the second Sn3+ site, Sn3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sn–O bond distances ranging from 2.29–2.74 Å. P5+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.16–1.96 Å. H1+ is bonded in a single-bond geometry to one Sn3+ and one O2- atom. The H–O bond length is 1.42 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, two Sn3+, and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Sn3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+ and one Sn3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+, one Sn3+, and one P5+ atom.
DOI: 10.17188/1288958
title: Materials Data on Sn3(OF)2 by Materials Project

description: Sn3(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Sn3(OF)2 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.24 Å. The Sn–F bond length is 2.10 Å. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.25 Å) and two longer (2.33 Å) Sn–O bond lengths. In the third Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.20 Å. The Sn–F bond length is 2.11 Å. O2- is bonded to four Sn2+ atoms to form a mixture of distorted edge and corner-sharing OSn4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom.
DOI: 10.17188/1288959
title: Materials Data on LiCuF4 by Materials Project

description: LiCuF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent CuF6 octahedra, and edges with two equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. There are a spread of Li–F bond distances ranging from 1.98–2.24 Å. Cu3+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent CuF6 octahedra, and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are four shorter (1.81 Å) and two longer (2.32 Å) Cu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Cu3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Cu3+ atom.
DOI: 10.17188/1288960
title: Materials Data on LaAgO2 by Materials Project

description: LaAgO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing LaO6 octahedra. All La–O bond lengths are 2.45 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.07 Å. O2- is bonded to three equivalent La3+ and one Ag1+ atom to form a mixture of edge and corner-sharing OLa3Ag tetrahedra.
DOI: 10.17188/1288961
title: Materials Data on Li6CuF8 by Materials Project

description: Li6CuF8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.80–2.02 Å. In the second Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share edges with two equivalent CuF6 octahedra and edges with six LiF6 octahedra. There are two shorter (1.91 Å) and four longer (2.13 Å) Li–F bond lengths. In the third Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six equivalent CuF6 octahedra and edges with six LiF6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are two shorter (1.95 Å) and four longer (2.17 Å) Li–F bond lengths. In the fourth Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share edges with two equivalent CuF6 octahedra and edges with six LiF6 octahedra. There are a spread of Li–F bond distances ranging from 1.90–2.19 Å. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with six equivalent LiF6 octahedra and edges with six LiF6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (1.97 Å) and two longer (2.38 Å) Cu–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to four Li1+ and one Cu2+ atom to form distorted FLi4Cu square pyramids that share corners with five equivalent FLi4Cu square pyramids, corners with three equivalent FLi4 tetrahedra, a cornercorner with one FLi4Cu trigonal bipyramid, edges with three equivalent FLi4Cu square pyramids, an edgeedge with one FLi4 tetrahedra, and edges with three equivalent FLi4Cu trigonal bipyramids. In the second F1- site, F1- is bonded to four Li1+ atoms to form FLi4 tetrahedra that share corners with six equivalent FLi4Cu square pyramids, corners with three equivalent FLi4 tetrahedra, corners with three equivalent FLi4Cu trigonal bipyramids, edges with two equivalent FLi4Cu square pyramids, and an edgeedge with one FLi4Cu trigonal bipyramid. In the third F1- site, F1- is bonded to four Li1+ and one Cu2+ atom to form distorted FLi4Cu trigonal bipyramids that share corners with two equivalent FLi4Cu square pyramids, corners with three equivalent FLi4 tetrahedra, corners with four equivalent FLi4Cu trigonal bipyramids, edges with six equivalent FLi4Cu square pyramids, and an edgeedge with one FLi4 tetrahedra.
DOI: 10.17188/1288962
title: Materials Data on LiCuF4 by Materials Project

description: LiCuF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent CuF6 octahedra, and edges with two equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Li–F bond distances ranging from 2.04–2.16 Å. Cu3+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent CuF6 octahedra, and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There is two shorter (1.86 Å) and four longer (1.95 Å) Cu–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Cu3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Cu3+ atoms.
DOI: 10.17188/1288963
title: Materials Data on LiAgF2 by Materials Project

description: LiAgF2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent LiF4 tetrahedra, corners with five equivalent AgF5 trigonal bipyramids, and an edgeedge with one AgF5 trigonal bipyramid. There is one shorter (1.88 Å) and three longer (1.90 Å) Li–F bond length. Ag1+ is bonded to five F1- atoms to form distorted AgF5 trigonal bipyramids that share corners with five equivalent LiF4 tetrahedra, corners with four equivalent AgF5 trigonal bipyramids, an edgeedge with one LiF4 tetrahedra, and edges with four equivalent AgF5 trigonal bipyramids. There are a spread of Ag–F bond distances ranging from 2.33–2.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one Ag1+ atom to form distorted FLi3Ag tetrahedra that share corners with six equivalent FLi3Ag tetrahedra, corners with five equivalent FLiAg4 trigonal bipyramids, and an edgeedge with one FLiAg4 trigonal bipyramid. In the second F1- site, F1- is bonded to one Li1+ and four equivalent Ag1+ atoms to form distorted FLiAg4 trigonal bipyramids that share corners with five equivalent FLi3Ag tetrahedra, corners with four equivalent FLiAg4 trigonal bipyramids, an edgeedge with one FLi3Ag tetrahedra, and edges with four equivalent FLiAg4 trigonal bipyramids.
DOI: 10.17188/1288964
title: Materials Data on LiAg5F12 by Materials Project

description: LiAg5F12 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with eight equivalent AgF6 octahedra and edges with two equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are two shorter (2.04 Å) and four longer (2.27 Å) Li–F bond lengths. There are three inequivalent Ag+2.20+ sites. In the first Ag+2.20+ site, Ag+2.20+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with eight AgF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Ag–F bond distances ranging from 2.14–2.30 Å. In the second Ag+2.20+ site, Ag+2.20+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, and edges with two AgF6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Ag–F bond distances ranging from 2.07–2.32 Å. In the third Ag+2.20+ site, Ag+2.20+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are two shorter (2.14 Å) and four longer (2.25 Å) Ag–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three Ag+2.20+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ag+2.20+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Ag+2.20+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ag+2.20+ atoms.
DOI: 10.17188/1288966
title: Materials Data on CaCdO2 by Materials Project

description: CaCdO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm 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 CdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.40 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Cd2+ atoms to form a mixture of edge and corner-sharing OCa2Cd4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Ca2+ and two equivalent Cd2+ atoms to form OCa4Cd2 octahedra that share corners with six equivalent OCa4Cd2 octahedra and edges with twelve OCa2Cd4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1288967
title: Materials Data on PrYO2 by Materials Project

description: PrYO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded to six equivalent O atoms to form PrO6 octahedra that share corners with six equivalent YO6 octahedra, edges with six equivalent PrO6 octahedra, and edges with six equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Pr–O bond lengths are 2.69 Å. Y is bonded to six equivalent O atoms to form YO6 octahedra that share corners with six equivalent PrO6 octahedra, edges with six equivalent PrO6 octahedra, and edges with six equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Y–O bond lengths are 2.33 Å. O is bonded to three equivalent Pr and three equivalent Y atoms to form a mixture of corner and edge-sharing OPr3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1288968
title: Materials Data on LiAgF2 by Materials Project

description: LiAgF2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form a mixture of edge and corner-sharing LiF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.83–1.95 Å. Ag1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.38–2.89 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Li1+ and three equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three equivalent Ag1+ atoms.
DOI: 10.17188/1288969
title: Materials Data on Hg by Materials Project

description: Hg is Copper structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of three mercury molecules. Hg is bonded in a 12-coordinate geometry to atoms.
DOI: 10.17188/1288970
title: Materials Data on LiTiSiO4 by Materials Project

description: LiTiSiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent SiO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent TiO6 octahedra. There are four shorter (2.08 Å) and two longer (2.12 Å) Li–O bond lengths. Ti3+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent SiO4 tetrahedra, edges with two equivalent TiO6 octahedra, and edges with four equivalent LiO6 octahedra. There are two shorter (1.99 Å) and four longer (2.10 Å) Ti–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent LiO6 octahedra and corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There is two shorter (1.66 Å) and two longer (1.68 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+, one Ti3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Ti3+, and one Si4+ atom.
DOI: 10.17188/1288971
title: Materials Data on YUO4 by Materials Project

description: YUO4 is Fluorite-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. U5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All U–O bond lengths are 2.28 Å. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.36 Å. O2- is bonded to two equivalent U5+ and two equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY2U2 tetrahedra.
DOI: 10.17188/1288972
title: Materials Data on Bi2OF4 by Materials Project

description: Bi2OF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Bi3+ is bonded in a 8-coordinate geometry to two equivalent O2- and six F1- atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Bi–O bond lengths. There are a spread of Bi–F bond distances ranging from 2.38–2.61 Å. O2- is bonded to four equivalent Bi3+ atoms to form distorted edge-sharing OBi4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.
DOI: 10.17188/1288973
title: Materials Data on Eu2SeO2 by Materials Project

description: Eu2SeO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Eu–Se bond lengths are 3.43 Å. All Eu–O bond lengths are 2.29 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Eu3+ atoms. O2- is bonded to four equivalent Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra.
DOI: 10.17188/1288974
title: Materials Data on Mg3ZnO4 by Materials Project

description: Mg3ZnO4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent ZnO6 octahedra, edges with two equivalent ZnO6 octahedra, and edges with ten MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Mg–O bond lengths are 2.11 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent ZnO6 octahedra, and edges with eight MgO6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Mg–O bond lengths are 2.14 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with two equivalent ZnO6 octahedra, and edges with ten MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.16 Å) and two longer (2.17 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Mg2+ and one Zn2+ atom to form a mixture of corner and edge-sharing OMg5Zn octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four Mg2+ and two equivalent Zn2+ atoms to form OMg4Zn2 octahedra that share corners with six equivalent OMg4Zn2 octahedra and edges with twelve OMg5Zn octahedra. The corner-sharing octahedral tilt angles are 0°.