cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1284220
title: Materials Data on Yb7Mg3Ge8 by Materials Project

description: Mg3Yb7Ge8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 150 degrees geometry to four Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.75–3.40 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to one Yb and five Ge atoms. The Mg–Yb bond length is 3.26 Å. There are a spread of Mg–Ge bond distances ranging from 2.71–3.20 Å. In the third Mg site, Mg is bonded in a distorted tetrahedral geometry to one Yb and five Ge atoms. The Mg–Yb bond length is 3.35 Å. There are a spread of Mg–Ge bond distances ranging from 2.68–3.31 Å. There are seven inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.93–3.65 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to two Mg and six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.03–3.47 Å. In the third Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.93–3.49 Å. In the fourth Yb site, Yb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.89–3.21 Å. In the fifth Yb site, Yb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.90–3.29 Å. In the sixth Yb site, Yb is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.89–3.50 Å. In the seventh Yb site, Yb is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.89–3.40 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted pentagonal bipyramidal geometry to two Mg and five Yb atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two Mg and five Yb atoms. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Yb and two Ge atoms. There are one shorter (2.57 Å) and one longer (2.77 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 5-coordinate geometry to two Mg, four Yb, and two Ge atoms. There are one shorter (2.50 Å) and one longer (2.86 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, five Yb, and two Ge atoms. There are one shorter (2.63 Å) and one longer (3.03 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to two Mg, five Yb, and one Ge atom. In the seventh Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Mg, five Yb, and two Ge atoms. In the eighth Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Mg, five Yb, and one Ge atom.
DOI: 10.17188/1284221
title: Materials Data on RbCS(OF)3 by Materials Project

description: RbCS(OF)3 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one RbCS(OF)3 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Rb–O bond distances ranging from 2.90–3.50 Å. The Rb–F bond length is 3.21 Å. C4+ is bonded in a trigonal non-coplanar geometry to three F1- atoms. There are a spread of C–F bond distances ranging from 1.35–1.37 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one S4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Rb1+ and one C4+ atom.
DOI: 10.17188/1284223
title: Materials Data on AsN2F7 by Materials Project

description: AsF6FN2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of ten 2-fluorohydrazine molecules and ten AsF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. 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.
DOI: 10.17188/1284224
title: Materials Data on Ti(PCl6)4 by Materials Project

description: TiCl6PCl6(PCl4)3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is zero-dimensional and consists of twelve [pcl4]+1 molecules, four PCl6 clusters, and four TiCl6 clusters. In each PCl6 cluster, P5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of P–Cl bond distances ranging from 2.16–2.19 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In each TiCl6 cluster, Ti4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Ti–Cl bond distances ranging from 2.35–2.41 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom.
DOI: 10.17188/1284228
title: Materials Data on Nb3(Bi5Cl9)2 by Materials Project

description: Nb3Bi7Cl18(Bi)3 crystallizes in the trigonal P3 space group. The structure is one-dimensional and consists of six bismuth molecules and one Nb3Bi7Cl18 ribbon oriented in the (0, 0, 1) direction. In the Nb3Bi7Cl18 ribbon, there are two inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Nb–Cl bond distances ranging from 2.37–2.51 Å. In the second Nb2+ site, Nb2+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Nb–Cl bond distances ranging from 2.38–2.50 Å. There are six inequivalent Bi+1.20+ sites. In the first Bi+1.20+ site, Bi+1.20+ is bonded in a trigonal planar geometry to three equivalent Cl1- atoms. All Bi–Cl bond lengths are 2.87 Å. In the second Bi+1.20+ site, Bi+1.20+ is bonded in a distorted hexagonal planar geometry to six Cl1- atoms. There are three shorter (2.88 Å) and three longer (3.35 Å) Bi–Cl bond lengths. In the third Bi+1.20+ site, Bi+1.20+ is bonded in a distorted bent 120 degrees geometry to two Cl1- atoms. There are one shorter (3.40 Å) and one longer (3.42 Å) Bi–Cl bond lengths. In the fourth Bi+1.20+ site, Bi+1.20+ is bonded in a bent 120 degrees geometry to two Cl1- atoms. There are one shorter (3.42 Å) and one longer (3.43 Å) Bi–Cl bond lengths. In the fifth Bi+1.20+ site, Bi+1.20+ is bonded in a distorted bent 120 degrees geometry to two Cl1- atoms. There are one shorter (3.42 Å) and one longer (3.43 Å) Bi–Cl bond lengths. In the sixth Bi+1.20+ site, Bi+1.20+ is bonded in a bent 120 degrees geometry to two Cl1- atoms. Both Bi–Cl bond lengths are 3.43 Å. There are twelve inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Nb2+ and one Bi+1.20+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ and two Bi+1.20+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ and two Bi+1.20+ atoms. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ and one Bi+1.20+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ atom. In the ninth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Nb2+ and one Bi+1.20+ atom. In the tenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ and two Bi+1.20+ atoms. In the eleventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ and two Bi+1.20+ atoms. In the twelfth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb2+ atom.
DOI: 10.17188/1284238
title: Materials Data on Nd10US16 by Materials Project

description: UNd10S16 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. U3+ is bonded to eight S2- atoms to form distorted US8 hexagonal bipyramids that share corners with four equivalent NdS8 hexagonal bipyramids, edges with four equivalent NdS8 hexagonal bipyramids, and faces with four equivalent NdS8 hexagonal bipyramids. There are four shorter (2.83 Å) and four longer (3.01 Å) U–S bond lengths. There are three inequivalent Nd+2.90+ sites. In the first Nd+2.90+ site, Nd+2.90+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.83–3.18 Å. In the second Nd+2.90+ site, Nd+2.90+ is bonded to eight S2- atoms to form distorted NdS8 hexagonal bipyramids that share corners with four equivalent NdS8 hexagonal bipyramids, edges with two equivalent US8 hexagonal bipyramids, and faces with four equivalent NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.85–3.05 Å. In the third Nd+2.90+ site, Nd+2.90+ is bonded to eight S2- atoms to form distorted NdS8 hexagonal bipyramids that share a cornercorner with one US8 hexagonal bipyramid, corners with four NdS8 hexagonal bipyramids, edges with two equivalent NdS8 hexagonal bipyramids, a faceface with one US8 hexagonal bipyramid, and faces with four NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.86–3.14 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to five Nd+2.90+ atoms to form distorted SNd5 trigonal bipyramids that share corners with four equivalent SNd5U octahedra, corners with four equivalent SNd5 square pyramids, a cornercorner with one SNd5 trigonal bipyramid, edges with two equivalent SNd5U octahedra, edges with two equivalent SNd5 square pyramids, and edges with three equivalent SNd5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 35–54°. In the second S2- site, S2- is bonded to five Nd+2.90+ atoms to form distorted SNd5 square pyramids that share corners with four equivalent SNd5U octahedra, corners with four equivalent SNd5 square pyramids, corners with four equivalent SNd5 trigonal bipyramids, an edgeedge with one SNd5U octahedra, edges with two equivalent SNd5 trigonal bipyramids, faces with two equivalent SNd5U octahedra, and a faceface with one SNd5 square pyramid. The corner-sharing octahedra tilt angles range from 13–53°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to one U3+ and five Nd+2.90+ atoms. In the fourth S2- site, S2- is bonded to one U3+ and five Nd+2.90+ atoms to form distorted SNd5U octahedra that share corners with three equivalent SNd5U octahedra, corners with four equivalent SNd5 square pyramids, corners with four equivalent SNd5 trigonal bipyramids, edges with two equivalent SNd5U octahedra, an edgeedge with one SNd5 square pyramid, edges with two equivalent SNd5 trigonal bipyramids, a faceface with one SNd5U octahedra, and faces with two equivalent SNd5 square pyramids. The corner-sharing octahedra tilt angles range from 17–45°.
DOI: 10.17188/1284241
title: Materials Data on CdGeO3 by Materials Project

description: CdGeO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Cd2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cd–O bond distances ranging from 2.08–2.46 Å. Ge4+ is bonded to five O2- atoms to form distorted edge-sharing GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.72–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OCd2Ge2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OCd2Ge2 tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one Ge4+ atom.
DOI: 10.17188/1284242
title: Materials Data on In4SbTe3 by Materials Project

description: In4Sb1Te3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent In+2.25+ sites. In the first In+2.25+ site, In+2.25+ is bonded to two equivalent Sb3- and four Te2- atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. Both In–Sb bond lengths are 3.11 Å. There are a spread of In–Te bond distances ranging from 3.11–3.15 Å. In the second In+2.25+ site, In+2.25+ is bonded to two equivalent Sb3- and four Te2- atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are one shorter (3.12 Å) and one longer (3.16 Å) In–Sb bond lengths. There are a spread of In–Te bond distances ranging from 3.09–3.12 Å. In the third In+2.25+ site, In+2.25+ is bonded to one Sb3- and five Te2- atoms to form InSbTe5 octahedra that share corners with six InSbTe5 octahedra and edges with twelve InSb2Te4 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. The In–Sb bond length is 3.09 Å. There are a spread of In–Te bond distances ranging from 3.08–3.15 Å. In the fourth In+2.25+ site, In+2.25+ is bonded to one Sb3- and five Te2- atoms to form InSbTe5 octahedra that share corners with six InSbTe5 octahedra and edges with twelve InSb2Te4 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. The In–Sb bond length is 3.09 Å. There are a spread of In–Te bond distances ranging from 3.10–3.15 Å. Sb3- is bonded to six In+2.25+ atoms to form SbIn6 octahedra that share corners with two equivalent TeIn6 octahedra, corners with four equivalent SbIn6 octahedra, and edges with twelve TeIn6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six In+2.25+ atoms to form TeIn6 octahedra that share corners with six TeIn6 octahedra, edges with four equivalent SbIn6 octahedra, and edges with eight TeIn6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the second Te2- site, Te2- is bonded to six In+2.25+ atoms to form TeIn6 octahedra that share corners with six TeIn6 octahedra, edges with four equivalent SbIn6 octahedra, and edges with eight TeIn6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the third Te2- site, Te2- is bonded to six In+2.25+ atoms to form TeIn6 octahedra that share corners with two equivalent SbIn6 octahedra, corners with four equivalent TeIn6 octahedra, edges with four equivalent SbIn6 octahedra, and edges with eight TeIn6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.
DOI: 10.17188/1284245
title: Materials Data on Eu2Zr2O7 by Materials Project

description: Eu2Zr2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.34 Å) and six longer (2.62 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.34 Å) and six longer (2.62 Å) Eu–O bond lengths. In the third Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.35 Å) and six longer (2.62 Å) Eu–O bond lengths. There are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. In the third Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+ and two Zr4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+ and two equivalent Zr4+ atoms. In the third O2- site, O2- is bonded to two equivalent Eu3+ and two Zr4+ atoms to form a mixture of distorted edge and corner-sharing OEu2Zr2 tetrahedra. In the fourth O2- site, O2- is bonded to two Eu3+ and two Zr4+ atoms to form a mixture of distorted edge and corner-sharing OEu2Zr2 tetrahedra. In the fifth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra.
DOI: 10.17188/1284248
title: Materials Data on In4As3Se by Materials Project

description: In4As3Se is Chalcopyrite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. In+2.75+ is bonded to three As3- and one Se2- atom to form corner-sharing InAs3Se tetrahedra. All In–As bond lengths are 2.71 Å. The In–Se bond length is 2.79 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight equivalent AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight AsIn4 tetrahedra. Se2- is bonded to four equivalent In+2.75+ atoms to form SeIn4 tetrahedra that share corners with twelve AsIn4 tetrahedra.
DOI: 10.17188/1284249
title: Materials Data on Pr3(ZnAs3)2 by Materials Project

description: Pr3Zn2As6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to eight As+2.17- atoms. There are a spread of Pr–As bond distances ranging from 2.97–3.68 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to eight As+2.17- atoms. There are a spread of Pr–As bond distances ranging from 3.05–3.82 Å. In the third Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to eight As+2.17- atoms. There are a spread of Pr–As bond distances ranging from 2.96–3.53 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted L-shaped geometry to five As+2.17- atoms. There are a spread of Zn–As bond distances ranging from 2.57–3.20 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three As+2.17- atoms. There are a spread of Zn–As bond distances ranging from 2.44–2.50 Å. There are six inequivalent As+2.17- sites. In the first As+2.17- site, As+2.17- is bonded in a 6-coordinate geometry to four Pr3+ and two Zn2+ atoms. In the second As+2.17- site, As+2.17- is bonded in a 2-coordinate geometry to six Pr3+, three equivalent Zn2+, and one As+2.17- atom. The As–As bond length is 2.50 Å. In the third As+2.17- site, As+2.17- is bonded in a 5-coordinate geometry to four Pr3+ and one As+2.17- atom. In the fourth As+2.17- site, As+2.17- is bonded in a 7-coordinate geometry to four Pr3+ and three As+2.17- atoms. There are one shorter (2.49 Å) and two longer (3.05 Å) As–As bond lengths. In the fifth As+2.17- site, As+2.17- is bonded in a 1-coordinate geometry to four Pr3+, one Zn2+, and one As+2.17- atom. In the sixth As+2.17- site, As+2.17- is bonded in a 3-coordinate geometry to two Pr3+, two Zn2+, and two equivalent As+2.17- atoms.
DOI: 10.17188/1284251
title: Materials Data on Ag8GeTe6 by Materials Project

description: Ag8GeTe6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.87–3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.95–3.13 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Ag1+ and three Te2- atoms. There are one shorter (2.92 Å) and one longer (3.03 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.84–2.94 Å. In the third Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.94 Å. There are a spread of Ag–Te bond distances ranging from 2.83–3.06 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.82 Å) and one longer (2.90 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.78–3.21 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.89 Å. There are a spread of Ag–Te bond distances ranging from 2.84–3.16 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.89–3.21 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.86–3.17 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.78–3.23 Å. Ge4+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.59–2.65 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to six Ag1+ and one Ge4+ atom. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the fifth Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the sixth Te2- site, Te2- is bonded in a 3-coordinate geometry to two Ag1+ and one Ge4+ atom.