cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1707444
title: Materials Data on TlGeSbO5 by Materials Project

description: TlGeSbO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Tl–O bond distances ranging from 2.68–3.05 Å. In the second Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Tl–O bond distances ranging from 2.75–3.18 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There is two shorter (1.77 Å) and two longer (1.79 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There is two shorter (1.77 Å) and two longer (1.78 Å) Ge–O bond length. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Sb–O bond distances ranging from 1.99–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Sb–O bond distances ranging from 2.00–2.05 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Tl1+, one Ge4+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tl1+, one Ge4+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+, one Ge4+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Tl1+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Tl1+, one Ge4+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Tl1+, one Ge4+, and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Tl1+, one Ge4+, and one Sb5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Tl1+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Tl1+, one Ge4+, and one Sb5+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Tl1+, one Ge4+, and one Sb5+ atom.
DOI: 10.17188/1707445
title: Materials Data on Tm8Rh5C12 by Materials Project

description: Tm8Rh5C12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 5-coordinate geometry to nine C+3.33- atoms. There are a spread of Tm–C bond distances ranging from 2.37–2.77 Å. In the second Tm3+ site, Tm3+ is bonded in a 1-coordinate geometry to nine C+3.33- atoms. There are a spread of Tm–C bond distances ranging from 2.30–2.91 Å. In the third Tm3+ site, Tm3+ is bonded to six C+3.33- atoms to form TmC6 octahedra that share corners with four CTm5C octahedra and faces with two equivalent TmC6 octahedra. The corner-sharing octahedra tilt angles range from 43–105°. There are a spread of Tm–C bond distances ranging from 2.54–2.62 Å. In the fourth Tm3+ site, Tm3+ is bonded in a 4-coordinate geometry to four C+3.33- atoms. There are two shorter (2.61 Å) and two longer (2.90 Å) Tm–C bond lengths. There are three inequivalent Rh+3.20+ sites. In the first Rh+3.20+ site, Rh+3.20+ is bonded in a linear geometry to two equivalent C+3.33- atoms. Both Rh–C bond lengths are 1.96 Å. In the second Rh+3.20+ site, Rh+3.20+ is bonded in a linear geometry to two C+3.33- atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) Rh–C bond lengths. In the third Rh+3.20+ site, Rh+3.20+ is bonded in a water-like geometry to two C+3.33- atoms. There are one shorter (2.09 Å) and one longer (2.28 Å) Rh–C bond lengths. There are six inequivalent C+3.33- sites. In the first C+3.33- site, C+3.33- is bonded to five Tm3+ and one C+3.33- atom to form a mixture of distorted edge and corner-sharing CTm5C octahedra. The corner-sharing octahedra tilt angles range from 7–15°. The C–C bond length is 1.34 Å. In the second C+3.33- site, C+3.33- is bonded in a 4-coordinate geometry to six Tm3+, one Rh+3.20+, and one C+3.33- atom. The C–C bond length is 1.36 Å. In the third C+3.33- site, C+3.33- is bonded to five Tm3+ and one C+3.33- atom to form CTm5C octahedra that share corners with two equivalent TmC6 octahedra, corners with four equivalent CTm5C octahedra, and edges with eight CTm5C octahedra. The corner-sharing octahedra tilt angles range from 7–43°. In the fourth C+3.33- site, C+3.33- is bonded to four Tm3+, one Rh+3.20+, and one C+3.33- atom to form CTm4RhC octahedra that share a cornercorner with one CTm4RhC octahedra, corners with two equivalent TmC6 octahedra, and edges with two equivalent CTm4RhC octahedra. The corner-sharing octahedra tilt angles range from 0–105°. The C–C bond length is 1.30 Å. In the fifth C+3.33- site, C+3.33- is bonded in a 6-coordinate geometry to four Tm3+, one Rh+3.20+, and one C+3.33- atom. In the sixth C+3.33- site, C+3.33- is bonded in a 7-coordinate geometry to four Tm3+, two Rh+3.20+, and one C+3.33- atom.
DOI: 10.17188/1707446
title: Materials Data on ZrTlO3 by Materials Project

description: ZrTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr3+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.11 Å. Tl3+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent ZrO6 octahedra. All Tl–O bond lengths are 2.98 Å. O2- is bonded in a linear geometry to two equivalent Zr3+ and four equivalent Tl3+ atoms.
DOI: 10.17188/1707447
title: Materials Data on TmN7O15 by Materials Project

description: Tm(NO3)5N2 crystallizes in the trigonal P3_1 space group. The structure is zero-dimensional and consists of six ammonia molecules and three Tm(NO3)5 clusters. In each Tm(NO3)5 cluster, Tm3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tm–O bond distances ranging from 2.39–2.54 Å. There are five inequivalent N+3.86+ sites. In the first N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the second N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.28 Å. In the third N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.29 Å. In the fourth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the fifth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the thirteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N+3.86+ atom. In the fourteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N+3.86+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom.
DOI: 10.17188/1707448
title: Materials Data on Au3Br8N3 by Materials Project

description: Au3N3Br8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Au+3.67+ sites. In the first Au+3.67+ site, Au+3.67+ is bonded in a square co-planar geometry to four Br+0.25- atoms. There are two shorter (2.45 Å) and two longer (2.48 Å) Au–Br bond lengths. In the second Au+3.67+ site, Au+3.67+ is bonded in a distorted linear geometry to two Br+0.25- atoms. Both Au–Br bond lengths are 2.38 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 7-coordinate geometry to seven Br+0.25- atoms. There are a spread of N–Br bond distances ranging from 3.56–3.93 Å. In the second N3- site, N3- is bonded in a 4-coordinate geometry to four Br+0.25- atoms. There are two shorter (3.51 Å) and two longer (3.52 Å) N–Br bond lengths. There are four inequivalent Br+0.25- sites. In the first Br+0.25- site, Br+0.25- is bonded in a single-bond geometry to one Au+3.67+ and two N3- atoms. In the second Br+0.25- site, Br+0.25- is bonded in a single-bond geometry to one Au+3.67+ and two N3- atoms. In the third Br+0.25- site, Br+0.25- is bonded in a distorted single-bond geometry to one Au+3.67+ and two equivalent N3- atoms. In the fourth Br+0.25- site, Br+0.25- is bonded in a distorted single-bond geometry to one Au+3.67+ and three equivalent N3- atoms.
DOI: 10.17188/1707449
title: Materials Data on Nd3Co6Sn5 by Materials Project

description: Nd3Co6Sn5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to four equivalent Co and eight equivalent Sn atoms. All Nd–Co bond lengths are 3.01 Å. All Nd–Sn bond lengths are 3.48 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six Co and eight Sn atoms. There are two shorter (3.03 Å) and four longer (3.25 Å) Nd–Co bond lengths. There are a spread of Nd–Sn bond distances ranging from 3.17–3.33 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to two equivalent Nd, four equivalent Co, and four Sn atoms. All Co–Co bond lengths are 2.57 Å. There are two shorter (2.59 Å) and two longer (2.94 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 10-coordinate geometry to three Nd, three Co, and four Sn atoms. The Co–Co bond length is 2.67 Å. There are three shorter (2.59 Å) and one longer (2.80 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to five Nd, four Co, and one Sn atom. The Sn–Sn bond length is 3.18 Å. In the second Sn site, Sn is bonded to four equivalent Nd and eight Co atoms to form face-sharing SnNd4Co8 cuboctahedra.
DOI: 10.17188/1707450
title: Materials Data on AgPbO3 by Materials Project

description: AgPbO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag2+ is bonded to six equivalent O2- atoms to form distorted AgO6 octahedra that share corners with nine equivalent PbO6 octahedra, edges with three equivalent AgO6 octahedra, and a faceface with one PbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are three shorter (2.28 Å) and three longer (2.39 Å) Ag–O bond lengths. Pb4+ is bonded to six equivalent O2- atoms to form distorted PbO6 octahedra that share corners with nine equivalent AgO6 octahedra, edges with three equivalent PbO6 octahedra, and a faceface with one AgO6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are three shorter (2.21 Å) and three longer (2.31 Å) Pb–O bond lengths. O2- is bonded to two equivalent Ag2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Pb2 trigonal pyramids.
DOI: 10.17188/1707451
title: Materials Data on Eu2TaAlO6 by Materials Project

description: Eu2TaAlO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu2+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, faces with four equivalent TaO6 octahedra, and faces with four equivalent AlO6 octahedra. All Eu–O bond lengths are 2.77 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.00 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Eu2+, one Ta5+, and one Al3+ atom.
DOI: 10.17188/1707452
title: Materials Data on NaNpSeO6 by Materials Project

description: NaNpSeO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to five O2- atoms to form distorted NaO5 square pyramids that share a cornercorner with one NpO7 pentagonal bipyramid, an edgeedge with one NpO7 pentagonal bipyramid, and edges with two equivalent NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.28–2.53 Å. Np7+ is bonded to seven O2- atoms to form distorted NpO7 pentagonal bipyramids that share a cornercorner with one NaO5 square pyramid, edges with two equivalent NpO7 pentagonal bipyramids, and an edgeedge with one NaO5 square pyramid. There are a spread of Np–O bond distances ranging from 1.79–2.57 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.74 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Np7+ and one Se4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Np7+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Np7+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to two equivalent Na1+ atoms.
DOI: 10.17188/1707455
title: Materials Data on CsV2P3O14 by Materials Project

description: CsV2P3O14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 1-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.09–3.65 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.59–2.46 Å. In the second V site, V is bonded to six O atoms to form distorted VO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.61–2.22 Å. There are three inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 32–46°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. In the third P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one VO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are a spread of P–O bond distances ranging from 1.51–1.58 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one V and one P atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Cs, one V, and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Cs, one V, and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one V atom. In the sixth O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one V and one P atom. In the eighth O site, O is bonded in a single-bond geometry to two equivalent Cs and one V atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Cs, one V, and one P atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Cs, one V, and one P atom. In the eleventh O site, O is bonded in a 2-coordinate geometry to one Cs, one V, and one P atom. In the twelfth O site, O is bonded in a single-bond geometry to two equivalent Cs and one P atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to one Cs, one V, and one P atom.
DOI: 10.17188/1707456
title: Materials Data on MgBi3 by Materials Project

description: MgBi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Bi atoms to form a mixture of corner and face-sharing MgBi12 cuboctahedra. There are six shorter (3.40 Å) and six longer (3.50 Å) Mg–Bi bond lengths. Bi is bonded in a 4-coordinate geometry to four equivalent Mg atoms.
DOI: 10.17188/1707457
title: Materials Data on SrPr3(FeO3)4 by Materials Project

description: SrPr3(FeO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.08 Å. There are three inequivalent Pr+3.33+ sites. In the first Pr+3.33+ site, Pr+3.33+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.82 Å. In the second Pr+3.33+ site, Pr+3.33+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.74 Å. In the third Pr+3.33+ site, Pr+3.33+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.42–2.70 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 20–27°. There are a spread of Fe–O bond distances ranging from 2.01–2.03 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 20–27°. There are a spread of Fe–O bond distances ranging from 1.99–2.04 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two Pr+3.33+, and two Fe3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two Pr+3.33+, and two Fe3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Pr+3.33+ and two Fe3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two Pr+3.33+, and two Fe3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Pr+3.33+, and two equivalent Fe3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Pr+3.33+, and two equivalent Fe3+ atoms. In the seventh O2- site, O2- is bonded to two Pr+3.33+ and two equivalent Fe3+ atoms to form distorted corner-sharing OPr2Fe2 trigonal pyramids. In the eighth O2- site, O2- is bonded to two Pr+3.33+ and two equivalent Fe3+ atoms to form distorted corner-sharing OPr2Fe2 tetrahedra.
DOI: 10.17188/1707459
title: Materials Data on EuMgGa by Materials Project

description: MgEuGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six equivalent Eu and four equivalent Ga atoms. There are a spread of Mg–Eu bond distances ranging from 3.32–3.58 Å. There are a spread of Mg–Ga bond distances ranging from 2.77–2.97 Å. Eu is bonded in a 4-coordinate geometry to six equivalent Mg and six equivalent Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.18–3.78 Å. Ga is bonded in a 10-coordinate geometry to four equivalent Mg and six equivalent Eu atoms.
DOI: 10.17188/1707462
title: Materials Data on Co3Ag(AsO4)3 by Materials Project

description: Co3Ag(AsO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with six AsO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.03–2.17 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six AsO4 tetrahedra and edges with two CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–2.11 Å. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.38 Å) and two longer (2.48 Å) Ag–O bond lengths. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 43–63°. There are a spread of As–O bond distances ranging from 1.67–1.76 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.67+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.67+ and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Co+2.67+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co+2.67+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Co+2.67+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Co+2.67+, two equivalent Ag1+, and one As5+ atom.