cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1281034
title: Materials Data on Ag9(BiO3)2 by Materials Project

description: Ag9(BiO3)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are eight 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 2.25 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.44 Å. In the fourth 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 fifth Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.49 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.10 Å. In the seventh Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.53 Å. In the eighth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.34 Å. Bi+1.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Bi–O bond lengths are 2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi+1.50+ atom. In the second O2- site, O2- is bonded to three Ag1+ and one Bi+1.50+ atom to form distorted corner-sharing OAg3Bi tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi+1.50+ atom.
DOI: 10.17188/1281035
title: Materials Data on Te2W3(CO)15 by Materials Project

description: W3Te2(CO)6(CO)9 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P4_12_12 space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules and four W3Te2(CO)6 clusters. In each W3Te2(CO)6 cluster, there are two inequivalent W+4.67+ sites. In the first W+4.67+ site, W+4.67+ is bonded in a distorted single-bond geometry to one Te2- atom. The W–Te bond length is 2.83 Å. In the second W+4.67+ site, W+4.67+ is bonded in a 2-coordinate geometry to two equivalent Te2- atoms. Both W–Te bond lengths are 3.00 Å. There are three inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one Te2- and one O2- atom. The C–Te bond length is 3.06 Å. The C–O bond length is 1.16 Å. In the third C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.17 Å. Te2- is bonded in a 2-coordinate geometry to two W+4.67+, one C+1.33+, one Te2-, and two O2- atoms. The Te–Te bond length is 2.78 Å. There are one shorter (3.42 Å) and one longer (3.81 Å) Te–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ and one Te2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ and one Te2- atom.
DOI: 10.17188/1281036
title: Materials Data on CdAs2C4SN4(OF6)2 by Materials Project

description: CdC4AsN4S(OF3)2AsF6 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four AsF6 clusters and four CdC4AsN4S(OF3)2 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.77 Å) and three longer (1.78 Å) As–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each CdC4AsN4S(OF3)2 cluster, Cd2+ is bonded in a 7-coordinate geometry to four N+2.50-, one O2-, and two equivalent F1- atoms. There are a spread of Cd–N bond distances ranging from 2.34–2.46 Å. The Cd–O bond length is 2.34 Å. Both Cd–F bond lengths are 2.62 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one N+2.50- atom. The C–N bond length is 1.16 Å. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N+2.50- atom. The C–N bond length is 1.16 Å. In the third C4+ site, C4+ is bonded in a single-bond geometry to one N+2.50- atom. The C–N bond length is 1.16 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.81 Å. There are three inequivalent N+2.50- sites. In the first N+2.50- site, N+2.50- is bonded in a 1-coordinate geometry to one Cd2+ and one C4+ atom. In the second N+2.50- site, N+2.50- is bonded in a 1-coordinate geometry to one Cd2+ and one C4+ atom. In the third N+2.50- site, N+2.50- is bonded in a 1-coordinate geometry to one Cd2+ and one C4+ atom. S2- is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.44 Å) and one longer (1.46 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Cd2+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
DOI: 10.17188/1281039
title: Materials Data on KCSN by Materials Project

description: KCNS is Potassium thiocyanate structured and crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (3.02 Å) and two longer (3.09 Å) K–N bond lengths. There are two shorter (3.38 Å) and two longer (3.52 Å) K–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.63 Å. N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C4+ atom. S2- is bonded in a 1-coordinate geometry to four equivalent K1+ and one C4+ atom.
DOI: 10.17188/1281041
title: Materials Data on Cs3HgI5 by Materials Project

description: Cs3HgI5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.90–4.47 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.87–4.42 Å. In the third Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Cs–I bond distances ranging from 4.00–4.27 Å. Hg2+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Hg–I bond distances ranging from 2.82–2.89 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded to six Cs1+ atoms to form distorted face-sharing ICs6 octahedra. In the second I1- site, I1- is bonded in a 1-coordinate geometry to four Cs1+ and one Hg2+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to five Cs1+ and one Hg2+ atom. In the fourth I1- site, I1- is bonded in a 6-coordinate geometry to five Cs1+ and one Hg2+ atom. In the fifth I1- site, I1- is bonded in a 6-coordinate geometry to five Cs1+ and one Hg2+ atom.
DOI: 10.17188/1281043
title: Materials Data on Te4As2S5(OF6)2 by Materials Project

description: (AsTe2(SF3)2)2SO2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four sulfur dioxide molecules and one AsTe2(SF3)2 sheet oriented in the (1, 0, 0) direction. In the AsTe2(SF3)2 sheet, there are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.80 Å. In the second As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There is five shorter (1.78 Å) and one longer (1.79 Å) As–F bond length. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a water-like geometry to two S2- atoms. Both Te–S bond lengths are 2.41 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to two S2- and two F1- atoms. There are one shorter (2.40 Å) and one longer (2.42 Å) Te–S bond lengths. There are one shorter (2.97 Å) and one longer (3.07 Å) Te–F bond lengths. In the third Te4+ site, Te4+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.41 Å) Te–S bond lengths. In the fourth Te4+ site, Te4+ is bonded in a T-shaped geometry to two S2- and one F1- atom. There are one shorter (2.40 Å) and one longer (2.41 Å) Te–S bond lengths. The Te–F bond length is 2.94 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two Te4+ and two F1- atoms. There are one shorter (3.26 Å) and one longer (3.39 Å) S–F bond lengths. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two Te4+ and two F1- atoms. There are one shorter (3.19 Å) and one longer (3.26 Å) S–F bond lengths. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two Te4+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two Te4+ and two F1- atoms. There are one shorter (3.09 Å) and one longer (3.16 Å) S–F bond lengths. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ and one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ and one S2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ and one S2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one S2- atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one As5+ and one S2- atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one S2- atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Te4+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Te4+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
DOI: 10.17188/1281044
title: Materials Data on TeI4 by Materials Project

description: TeI4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four TeI4 clusters. there are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.80–3.29 Å. In the second Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.79–3.27 Å. In the third Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.79–3.32 Å. In the fourth Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.81–3.25 Å. There are sixteen inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the sixth I1- site, I1- is bonded in a water-like geometry to two Te4+ atoms. In the seventh I1- site, I1- is bonded in a distorted water-like geometry to two Te4+ atoms. In the eighth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the ninth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the tenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the eleventh I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the twelfth I1- site, I1- is bonded in a distorted L-shaped geometry to two Te4+ atoms. In the thirteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fourteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fifteenth I1- site, I1- is bonded in a water-like geometry to two Te4+ atoms. In the sixteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom.
DOI: 10.17188/1281045
title: Materials Data on Gd3NCl6 by Materials Project

description: Gd3NCl6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to one N3- and six Cl1- atoms. The Gd–N bond length is 2.25 Å. There are a spread of Gd–Cl bond distances ranging from 2.69–2.98 Å. In the second Gd3+ site, Gd3+ is bonded in a 1-coordinate geometry to one N3- and seven Cl1- atoms. The Gd–N bond length is 2.26 Å. There are a spread of Gd–Cl bond distances ranging from 2.68–3.32 Å. In the third Gd3+ site, Gd3+ is bonded in a 2-coordinate geometry to two equivalent N3- and six Cl1- atoms. There are one shorter (2.30 Å) and one longer (2.33 Å) Gd–N bond lengths. There are a spread of Gd–Cl bond distances ranging from 2.86–3.27 Å. N3- is bonded to four Gd3+ atoms to form edge-sharing NGd4 tetrahedra. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Gd3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Gd3+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four Gd3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Gd3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Gd3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to four Gd3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a square co-planar geometry to four Gd3+ atoms.
DOI: 10.17188/1281047
title: Materials Data on K3WC4N4OF by Materials Project

description: K3WC4N4OF crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to two N3- and two equivalent O2- atoms. There are one shorter (2.83 Å) and one longer (2.85 Å) K–N bond lengths. There are one shorter (2.90 Å) and one longer (3.01 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to two N3- and two equivalent F1- atoms. There are one shorter (2.85 Å) and one longer (2.86 Å) K–N bond lengths. There are one shorter (2.79 Å) and one longer (2.82 Å) K–F bond lengths. In the third K1+ site, K1+ is bonded in an octahedral geometry to four N3-, one O2-, and one F1- atom. There are a spread of K–N bond distances ranging from 2.85–2.92 Å. The K–O bond length is 2.88 Å. The K–F bond length is 2.80 Å. W4+ is bonded in a linear geometry to one O2- and one F1- atom. The W–O bond length is 1.79 Å. The W–F bond length is 2.09 Å. There are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fourth C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two K1+ and one C2+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to two K1+ and one C2+ atom. O2- is bonded in a 1-coordinate geometry to three K1+ and one W4+ atom. F1- is bonded to three K1+ and one W4+ atom to form distorted edge-sharing FK3W tetrahedra.
DOI: 10.17188/1281048
title: Materials Data on CeSiNO2 by Materials Project

description: CeSiO2N crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six equivalent N3- and six equivalent O2- atoms to form CeN6O6 cuboctahedra that share edges with six CeO6 octahedra, faces with two equivalent CeN6O6 cuboctahedra, and faces with six equivalent SiN2O2 tetrahedra. All Ce–N bond lengths are 2.92 Å. All Ce–O bond lengths are 2.79 Å. In the second Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form distorted CeO6 octahedra that share corners with six equivalent SiN2O2 tetrahedra, edges with three equivalent CeN6O6 cuboctahedra, and edges with three equivalent CeO6 octahedra. All Ce–O bond lengths are 2.44 Å. In the third Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form distorted CeO6 octahedra that share corners with six equivalent SiN2O2 tetrahedra, edges with three equivalent CeN6O6 cuboctahedra, and edges with three equivalent CeO6 octahedra. All Ce–O bond lengths are 2.47 Å. Si4+ is bonded to two equivalent N3- and two equivalent O2- atoms to form SiN2O2 tetrahedra that share corners with four CeO6 octahedra, corners with two equivalent SiN2O2 tetrahedra, and faces with two equivalent CeN6O6 cuboctahedra. The corner-sharing octahedral tilt angles are 57°. There is one shorter (1.69 Å) and one longer (1.70 Å) Si–N bond length. Both Si–O bond lengths are 1.67 Å. N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce3+ and two equivalent Si4+ atoms. O2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom.
DOI: 10.17188/1281049
title: Materials Data on CsMoP2O7 by Materials Project

description: CsMoP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.49 Å. Mo3+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 2.13–2.18 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–51°. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–47°. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Mo3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Mo3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Mo3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+ and two P5+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Mo3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Mo3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Mo3+, and one P5+ atom.
DOI: 10.17188/1281050
title: Materials Data on As(IF3)2 by Materials Project

description: F(AsF3)(IF1)2 is Cubane-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight iodine monofluoride molecules and four F(AsF3) clusters. In each F(AsF3) cluster, As2+ is bonded in a trigonal pyramidal geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.78 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As2+ atom.
DOI: 10.17188/1281051
title: Materials Data on Te2Ru4(CO)11 by Materials Project

description: (Ru2Te(CO)2)2(CO)7 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of twenty-eight formaldehyde molecules and four Ru2Te(CO)2 clusters. In each Ru2Te(CO)2 cluster, there are two inequivalent Ru+3.50+ sites. In the first Ru+3.50+ site, Ru+3.50+ is bonded in a 5-coordinate geometry to two equivalent Te2- atoms. There are one shorter (2.74 Å) and one longer (2.76 Å) Ru–Te bond lengths. In the second Ru+3.50+ site, Ru+3.50+ is bonded in a 4-coordinate geometry to two equivalent Te2- atoms. Both Ru–Te bond lengths are 2.80 Å. There are two inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.09+ site, C+1.09+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.17 Å. Te2- is bonded in a 6-coordinate geometry to four Ru+3.50+ and two O2- atoms. There are one shorter (3.54 Å) and one longer (3.81 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom.