cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1189255
title: Materials Data on Tb6FeSb2 by Materials Project

description: Tb6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Tb–Fe bond lengths are 2.84 Å. Both Tb–Sb bond lengths are 3.24 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Tb–Fe bond length is 3.31 Å. All Tb–Sb bond lengths are 3.27 Å. Fe is bonded in a 9-coordinate geometry to nine Tb atoms. Sb is bonded in a 9-coordinate geometry to nine Tb atoms.
DOI: 10.17188/1189256
title: Materials Data on ErAgTe2 (SG:113) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1189257
title: Materials Data on YAgTe2 by Materials Project

description: YAgTe2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Te2- atoms to form YTe6 octahedra that share corners with eight equivalent YTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, edges with two equivalent YTe6 octahedra, and edges with four equivalent AgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–57°. There are a spread of Y–Te bond distances ranging from 3.04–3.18 Å. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent YTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, and edges with four equivalent YTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ag–Te bond lengths are 2.91 Å. Te2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Ag1+ atoms.
DOI: 10.17188/1189258
title: Materials Data on HoAgTe2 by Materials Project

description: HoAgTe2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent Te2- atoms to form HoTe6 octahedra that share corners with eight equivalent HoTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, edges with two equivalent HoTe6 octahedra, and edges with four equivalent AgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of Ho–Te bond distances ranging from 3.03–3.17 Å. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent HoTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, and edges with four equivalent HoTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ag–Te bond lengths are 2.90 Å. Te2- is bonded in a 5-coordinate geometry to three equivalent Ho3+ and two equivalent Ag1+ atoms.
DOI: 10.17188/1189259
title: Materials Data on Ba3CrN3 by Materials Project

description: Ba3CrN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five equivalent N3- atoms. There are a spread of Ba–N bond distances ranging from 2.83–3.38 Å. Cr3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Cr–N bond lengths are 1.73 Å. N3- is bonded in a 1-coordinate geometry to five equivalent Ba2+ and one Cr3+ atom.
DOI: 10.17188/1189260
title: Materials Data on Sr3CrN3 by Materials Project

description: Sr3CrN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sr2+ is bonded to five equivalent N3- atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.68–2.95 Å. Cr3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Cr–N bond lengths are 1.73 Å. N3- is bonded to five equivalent Sr2+ and one Cr3+ atom to form a mixture of distorted corner and edge-sharing NSr5Cr octahedra. The corner-sharing octahedra tilt angles range from 23–42°.
DOI: 10.17188/1189261
title: Materials Data on ScAgSe2 by Materials Project

description: ScAgSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent Se2- atoms to form ScSe6 octahedra that share corners with twelve equivalent AgSe6 octahedra, edges with six equivalent ScSe6 octahedra, and faces with two equivalent AgSe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc–Se bond lengths are 2.74 Å. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share corners with twelve equivalent ScSe6 octahedra, edges with six equivalent AgSe6 octahedra, and faces with two equivalent ScSe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ag–Se bond lengths are 2.88 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Sc3+ and three equivalent Ag1+ atoms.
DOI: 10.17188/1189262
title: Materials Data on ErIn3 by Materials Project

description: ErIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent In atoms to form ErIn12 cuboctahedra that share corners with twelve equivalent ErIn12 cuboctahedra, edges with twenty-four equivalent InEr4In8 cuboctahedra, faces with six equivalent ErIn12 cuboctahedra, and faces with twelve equivalent InEr4In8 cuboctahedra. All Er–In bond lengths are 3.28 Å. In is bonded to four equivalent Er and eight equivalent In atoms to form distorted InEr4In8 cuboctahedra that share corners with twelve equivalent InEr4In8 cuboctahedra, edges with eight equivalent ErIn12 cuboctahedra, edges with sixteen equivalent InEr4In8 cuboctahedra, faces with four equivalent ErIn12 cuboctahedra, and faces with fourteen equivalent InEr4In8 cuboctahedra. All In–In bond lengths are 3.28 Å.
DOI: 10.17188/1189263
title: Materials Data on GeS by Materials Project

description: GeS crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two GeS sheets oriented in the (0, 1, 0) direction. Ge2+ is bonded to five equivalent S2- atoms to form a mixture of corner and edge-sharing GeS5 square pyramids. There are one shorter (2.38 Å) and four longer (2.75 Å) Ge–S bond lengths. S2- is bonded to five equivalent Ge2+ atoms to form a mixture of corner and edge-sharing SGe5 square pyramids.
DOI: 10.17188/1189264
title: Materials Data on Ba2LaRuO6 by Materials Project

description: Ba2LaRuO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.81–3.35 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All La–O bond lengths are 2.36 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Ru–O bond lengths are 1.99 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ru5+ atom.
DOI: 10.17188/1189265
title: Materials Data on Ba2PrRuO6 by Materials Project

description: Ba2PrRuO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent PrO6 octahedra, and faces with four equivalent RuO6 octahedra. All Ba–O bond lengths are 3.06 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–O bond lengths are 2.33 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent PrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Pr3+, and one Ru5+ atom.
DOI: 10.17188/1189266
title: Materials Data on LaPIr by Materials Project

description: LaIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La is bonded to six equivalent Ir and six equivalent P atoms to form a mixture of edge and face-sharing LaP6Ir6 cuboctahedra. There are two shorter (3.12 Å) and four longer (3.21 Å) La–Ir bond lengths. There are four shorter (3.16 Å) and two longer (3.23 Å) La–P bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. All Ir–P bond lengths are 2.40 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. There are two shorter (3.12 Å) and four longer (3.21 Å) Ir–La bond lengths. All Ir–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ir atoms.
DOI: 10.17188/1189267
title: Materials Data on CePIr by Materials Project

description: CeIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ce is bonded to six equivalent Ir and six equivalent P atoms to form a mixture of edge and face-sharing CeP6Ir6 cuboctahedra. There are four shorter (3.10 Å) and two longer (3.13 Å) Ce–Ir bond lengths. There are four shorter (3.08 Å) and two longer (3.17 Å) Ce–P bond lengths. Ir is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent P atoms. There are two shorter (2.36 Å) and one longer (2.38 Å) Ir–P bond lengths. P is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ir atoms.
DOI: 10.17188/1189268
title: Materials Data on PrPIr by Materials Project

description: PrIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Pr is bonded to six Ir and six equivalent P atoms to form a mixture of edge and face-sharing PrP6Ir6 cuboctahedra. There are two shorter (3.10 Å) and four longer (3.19 Å) Pr–Ir bond lengths. There are four shorter (3.14 Å) and two longer (3.21 Å) Pr–P bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–P bond lengths. In the third Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. There are two shorter (3.10 Å) and four longer (3.19 Å) Ir–Pr bond lengths. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–P bond lengths. P is bonded in a 9-coordinate geometry to six equivalent Pr and three Ir atoms.
DOI: 10.17188/1189269
title: Materials Data on NdPIr by Materials Project

description: NdIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nd is bonded to six equivalent Ir and six equivalent P atoms to form a mixture of edge and face-sharing NdP6Ir6 cuboctahedra. There are two shorter (3.09 Å) and four longer (3.17 Å) Nd–Ir bond lengths. There are four shorter (3.12 Å) and two longer (3.20 Å) Nd–P bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent P atoms. There are two shorter (2.37 Å) and one longer (2.38 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent P atoms. There are two shorter (3.09 Å) and four longer (3.17 Å) Ir–Nd bond lengths. There are two shorter (2.37 Å) and one longer (2.38 Å) Ir–P bond lengths. P is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ir atoms.
DOI: 10.17188/1189270
title: Materials Data on SrPIr by Materials Project

description: SrIrP crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to four equivalent Ir and four equivalent P atoms. There are one shorter (3.20 Å) and three longer (3.31 Å) Sr–Ir bond lengths. There are one shorter (3.10 Å) and three longer (3.25 Å) Sr–P bond lengths. Ir is bonded in a 7-coordinate geometry to four equivalent Sr and three equivalent P atoms. All Ir–P bond lengths are 2.30 Å. P is bonded in a 7-coordinate geometry to four equivalent Sr and three equivalent Ir atoms.
DOI: 10.17188/1189271
title: Materials Data on KLaSiS4 by Materials Project

description: KLaSiS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.34–3.50 Å. La3+ is bonded in a 6-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.48 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.14 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent La3+, and one Si4+ atom. In the second S2- site, S2- is bonded to three equivalent K1+, one La3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing SK3LaSi trigonal bipyramids. In the third S2- site, S2- is bonded in a 1-coordinate geometry to one K1+, three equivalent La3+, and one Si4+ atom.
DOI: 10.17188/1189272
title: Materials Data on Ba(BeN)2 by Materials Project

description: Ba(BeN)2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. All Ba–N bond lengths are 3.00 Å. Be2+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. There is one shorter (1.65 Å) and two longer (1.69 Å) Be–N bond length. N3- is bonded in a 3-coordinate geometry to four equivalent Ba2+ and three equivalent Be2+ atoms.
DOI: 10.17188/1189273
title: Materials Data on SmAsO4 by Materials Project

description: SmAsO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.39 Å) and four longer (2.48 Å) Sm–O bond lengths. As5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All As–O bond lengths are 1.72 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one As5+ atom.
DOI: 10.17188/1189274
title: Materials Data on SmTaO4 by Materials Project

description: SmTaO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.36–2.59 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.89–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1189275
title: Materials Data on TbTaO4 by Materials Project

description: TbTaO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.57 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.89–2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1189276
title: Materials Data on TmTaO4 by Materials Project

description: TmTaO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.57 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.89–2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1189277
title: Materials Data on YCo2 by Materials Project

description: YCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All Y–Co bond lengths are 2.96 Å. Co is bonded to six equivalent Y and six equivalent Co atoms to form a mixture of edge, face, and corner-sharing CoY6Co6 cuboctahedra. All Co–Co bond lengths are 2.52 Å.
DOI: 10.17188/1189279
title: Materials Data on HoAsO4 by Materials Project

description: HoAsO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.31 Å) and four longer (2.42 Å) Ho–O bond lengths. As5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All As–O bond lengths are 1.72 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one As5+ atom.
DOI: 10.17188/1189280
title: Materials Data on LaMgCu2 by Materials Project

description: LaCu2Mg crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a distorted hexagonal planar geometry to six equivalent Cu atoms. All Mg–Cu bond lengths are 2.76 Å. La is bonded in a 8-coordinate geometry to eight equivalent Cu atoms. There are two shorter (2.92 Å) and six longer (3.10 Å) La–Cu bond lengths. Cu is bonded in a 7-coordinate geometry to three equivalent Mg and four equivalent La atoms.
DOI: 10.17188/1189281
title: Materials Data on NaMgF3 by Materials Project

description: NaMgF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.58 Å. Mg2+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two shorter (2.00 Å) and four longer (2.03 Å) Mg–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Mg2+ atoms to form distorted corner-sharing FNa2Mg2 tetrahedra.
DOI: 10.17188/1189282
title: Materials Data on Yb4Sb3 by Materials Project

description: Yb4Sb3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Yb+2.25+ is bonded to six equivalent Sb3- atoms to form a mixture of distorted corner, edge, and face-sharing YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°. There are three shorter (3.19 Å) and three longer (3.36 Å) Yb–Sb bond lengths. Sb3- is bonded to eight equivalent Yb+2.25+ atoms to form a mixture of distorted corner, edge, and face-sharing SbYb8 hexagonal bipyramids.
DOI: 10.17188/1189283
title: Materials Data on ZrGaAu by Materials Project

description: ZrAuGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to six equivalent Au atoms. All Zr–Au bond lengths are 2.93 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. All Zr–Au bond lengths are 3.19 Å. All Zr–Ga bond lengths are 2.93 Å. Au is bonded in a 6-coordinate geometry to six Zr, one Au, and three equivalent Ga atoms. The Au–Au bond length is 2.92 Å. All Au–Ga bond lengths are 2.58 Å. Ga is bonded in a 3-coordinate geometry to three equivalent Zr and three equivalent Au atoms.
DOI: 10.17188/1189284
title: Materials Data on HfGaAu by Materials Project

description: HfAuGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. All Hf–Au bond lengths are 2.90 Å. All Hf–Ga bond lengths are 3.18 Å. In the second Hf site, Hf is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. All Hf–Au bond lengths are 3.17 Å. All Hf–Ga bond lengths are 2.89 Å. Au is bonded in a 10-coordinate geometry to six Hf, one Au, and three equivalent Ga atoms. The Au–Au bond length is 2.87 Å. All Au–Ga bond lengths are 2.58 Å. Ga is bonded in a 3-coordinate geometry to six Hf, three equivalent Au, and one Ga atom. The Ga–Ga bond length is 2.83 Å.
DOI: 10.17188/1189285
title: Materials Data on TmAgTe2 by Materials Project

description: TmAgTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Te2- atoms to form TmTe6 octahedra that share corners with twelve equivalent AgTe6 octahedra, edges with six equivalent TmTe6 octahedra, and faces with two equivalent AgTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Tm–Te bond lengths are 3.07 Å. Ag1+ is bonded to six equivalent Te2- atoms to form AgTe6 octahedra that share corners with twelve equivalent TmTe6 octahedra, edges with six equivalent AgTe6 octahedra, and faces with two equivalent TmTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ag–Te bond lengths are 3.05 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Tm3+ and three equivalent Ag1+ atoms.