cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1662624
title: Materials Data on MgSi by Materials Project

description: MgSi is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and eight Si atoms. There are a spread of Mg–Mg bond distances ranging from 3.10–3.18 Å. There are a spread of Mg–Si bond distances ranging from 2.71–3.23 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to one Mg and five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.90–3.11 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–2.97 Å. In the fourth Mg site, Mg is bonded in a 5-coordinate geometry to one Mg and five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.00 Å. In the fifth Mg site, Mg is bonded in a 6-coordinate geometry to one Mg and six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.89 Å. In the sixth Mg site, Mg is bonded in a 5-coordinate geometry to one Mg and six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.81–3.13 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.41–2.78 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Mg and two Si atoms. There are one shorter (2.38 Å) and one longer (2.51 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 6-coordinate geometry to five Mg and three Si atoms. The Si–Si bond length is 2.49 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six Mg and two Si atoms. The Si–Si bond length is 2.42 Å. In the sixth Si site, Si is bonded in a 7-coordinate geometry to six Mg and one Si atom.
DOI: 10.17188/1662625
title: Materials Data on BaFe3Si4SO11 by Materials Project

description: BaFe3Si4SO11 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to one S2- and twelve O2- atoms. The Ba–S bond length is 3.24 Å. There are a spread of Ba–O bond distances ranging from 3.05–3.12 Å. There are four inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to two equivalent S2- and four O2- atoms to form distorted FeS2O4 octahedra that share corners with four SiO4 tetrahedra and edges with six FeO6 octahedra. Both Fe–S bond lengths are 2.49 Å. There are two shorter (2.13 Å) and two longer (2.16 Å) Fe–O bond lengths. In the second Fe2+ site, Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four SiO4 tetrahedra and edges with six FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.05–2.22 Å. In the third Fe2+ site, Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent SiO4 tetrahedra and edges with six FeO6 octahedra. There are two shorter (2.04 Å) and four longer (2.19 Å) Fe–O bond lengths. In the fourth Fe2+ site, Fe2+ is bonded to two equivalent S2- and four equivalent O2- atoms to form distorted FeS2O4 octahedra that share corners with four equivalent SiO4 tetrahedra and edges with six FeO6 octahedra. Both Fe–S bond lengths are 2.50 Å. All Fe–O bond lengths are 2.16 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three FeS2O4 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–59°. There is one shorter (1.60 Å) and three longer (1.70 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three FeS2O4 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–57°. There is one shorter (1.58 Å) and three longer (1.69 Å) Si–O bond length. S2- is bonded in a 3-coordinate geometry to one Ba2+ and three Fe2+ atoms. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three Fe2+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Fe2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+ and two Si4+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+ and two Si4+ atoms. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Fe2+ and one Si4+ atom.
DOI: 10.17188/1662626
title: Materials Data on Cs2Sb by Materials Project

description: Cs2Sb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to five Cs1+ and six Sb2- atoms. There are a spread of Cs–Cs bond distances ranging from 3.82–4.28 Å. There are a spread of Cs–Sb bond distances ranging from 3.97–4.25 Å. In the second Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three equivalent Cs1+ and six Sb2- atoms. There are a spread of Cs–Sb bond distances ranging from 3.94–4.29 Å. In the third Cs1+ site, Cs1+ is bonded to four Sb2- atoms to form a mixture of distorted edge and corner-sharing CsSb4 tetrahedra. There are a spread of Cs–Sb bond distances ranging from 3.71–4.05 Å. In the fourth Cs1+ site, Cs1+ is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three equivalent Sb2- atoms. There are one shorter (3.98 Å) and two longer (4.17 Å) Cs–Sb bond lengths. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 11-coordinate geometry to ten Cs1+ and one Sb2- atom. The Sb–Sb bond length is 2.97 Å. In the second Sb2- site, Sb2- is bonded in a 10-coordinate geometry to nine Cs1+ and one Sb2- atom.
DOI: 10.17188/1662627
title: Materials Data on Li3Pm by Materials Project

description: Li3Pm crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a 10-coordinate geometry to six equivalent Li and four equivalent Pm atoms. There are two shorter (2.98 Å) and four longer (3.07 Å) Li–Li bond lengths. There are two shorter (3.33 Å) and two longer (3.36 Å) Li–Pm bond lengths. Pm is bonded to twelve equivalent Li atoms to form a mixture of corner and face-sharing PmLi12 cuboctahedra.
DOI: 10.17188/1662628
title: Materials Data on Li2NdGa by Materials Project

description: Li2NdGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Ga atoms. All Li–Nd bond lengths are 2.94 Å. All Li–Ga bond lengths are 2.94 Å. Nd is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Ga atoms. All Nd–Ga bond lengths are 3.40 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Nd atoms.
DOI: 10.17188/1662629
title: Materials Data on Cd2P by Materials Project

description: Cd2P is Cuprite structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Cd is bonded in a linear geometry to two equivalent P atoms. Both Cd–P bond lengths are 2.53 Å. P is bonded to four equivalent Cd atoms to form corner-sharing PCd4 tetrahedra.
DOI: 10.17188/1662630
title: Materials Data on Tl2FeCu3Te4 by Materials Project

description: FeCu3Tl2Te4 is alpha bismuth trifluoride-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent Te2- atoms to form FeTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and edges with four CuTe4 tetrahedra. All Fe–Te bond lengths are 2.63 Å. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent FeTe4 tetrahedra and edges with four CuTe4 tetrahedra. All Cu–Te bond lengths are 2.67 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, edges with two equivalent FeTe4 tetrahedra, and edges with two equivalent CuTe4 tetrahedra. All Cu–Te bond lengths are 2.65 Å. In the third Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, edges with two equivalent FeTe4 tetrahedra, and edges with two equivalent CuTe4 tetrahedra. All Cu–Te bond lengths are 2.65 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.59–3.63 Å. Te2- is bonded in a 8-coordinate geometry to one Fe3+, three Cu1+, and four equivalent Tl1+ atoms.
DOI: 10.17188/1662632
title: Materials Data on Ce2Si4OsRu3 by Materials Project

description: Ce2OsRu3Si4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to two equivalent Os2- and eight Si4- atoms. Both Ce–Os bond lengths are 3.20 Å. There are four shorter (3.23 Å) and four longer (3.24 Å) Ce–Si bond lengths. Os2- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Si4- atoms. All Os–Si bond lengths are 2.40 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. In the second Ru4+ site, Ru4+ is bonded to four equivalent Si4- atoms to form distorted corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.40 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Os2-, and two equivalent Ru4+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Ru4+ atoms.
DOI: 10.17188/1662633
title: Materials Data on Sr4ZrTi3O12 by Materials Project

description: Sr4ZrTi3O12 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with six SrO12 cuboctahedra, and faces with eight TiO6 octahedra. There are two shorter (2.74 Å) and ten longer (2.83 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with six SrO12 cuboctahedra, faces with two equivalent ZrO6 octahedra, and faces with six TiO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.69–2.97 Å. In the third Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with six SrO12 cuboctahedra, faces with four equivalent ZrO6 octahedra, and faces with four equivalent TiO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.83–2.93 Å. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with two equivalent ZrO6 octahedra, corners with four equivalent TiO6 octahedra, and faces with eight SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.02 Å) and four longer (2.10 Å) Zr–O bond lengths. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent ZrO6 octahedra, corners with four TiO6 octahedra, and faces with eight SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ti–O bond distances ranging from 1.94–2.02 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra and faces with eight SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.97 Å) and two longer (2.02 Å) Ti–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Sr2+, one Zr4+, and one Ti4+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded to four Sr2+ and two equivalent Ti4+ atoms to form distorted corner-sharing OSr4Ti2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two equivalent Zr4+ atoms.
DOI: 10.17188/1662637
title: Materials Data on UBr4(NO2)2 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: 10.17188/1662640
title: Materials Data on Sr4CaCr5O15 by Materials Project

description: Sr4CaCr5O15 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with three equivalent SrO12 cuboctahedra, faces with three equivalent CaO12 cuboctahedra, and faces with eight CrO6 octahedra. There are three shorter (2.73 Å) and nine longer (2.74 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with three equivalent CaO12 cuboctahedra, corners with nine SrO12 cuboctahedra, faces with six SrO12 cuboctahedra, and faces with eight CrO6 octahedra. There are nine shorter (2.74 Å) and three longer (2.75 Å) Sr–O bond lengths. Ca2+ is bonded to twelve O2- atoms to form CaO12 cuboctahedra that share corners with six equivalent SrO12 cuboctahedra, corners with six equivalent CaO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight CrO6 octahedra. There are six shorter (2.72 Å) and six longer (2.74 Å) Ca–O bond lengths. There are three inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six CrO6 octahedra, faces with three equivalent CaO12 cuboctahedra, and faces with five SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is three shorter (1.93 Å) and three longer (1.96 Å) Cr–O bond length. In the second Cr4+ site, Cr4+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.96 Å. In the third Cr4+ site, Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six CrO6 octahedra, a faceface with one CaO12 cuboctahedra, and faces with seven SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is three shorter (1.91 Å) and three longer (1.92 Å) Cr–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent Ca2+, and two equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to three Sr2+, one Ca2+, and two Cr4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two Cr4+ atoms.
DOI: 10.17188/1662641
title: Materials Data on La(AgGe)2 by Materials Project

description: La(AgGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All La–Ag bond lengths are 3.53 Å. All La–Ge bond lengths are 3.35 Å. Ag is bonded in a 12-coordinate geometry to four equivalent La, four equivalent Ag, and four equivalent Ge atoms. All Ag–Ag bond lengths are 3.11 Å. All Ag–Ge bond lengths are 2.68 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.48 Å.
DOI: 10.17188/1662642
title: Materials Data on LiMo2P3O13 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: 10.17188/1662643
title: Materials Data on ZnIn2(SeO3)4 by Materials Project

description: ZnIn2(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one ZnIn2(SeO3)4 sheet oriented in the (1, 0, 0) direction. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are a spread of Zn–O bond distances ranging from 2.08–2.23 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent ZnO6 octahedra and corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are a spread of In–O bond distances ranging from 2.13–2.28 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Zn2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one In3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one In3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+, one In3+, and one Se4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+, one In3+, and one Se4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Se4+ atom.
DOI: 10.17188/1662644
title: Materials Data on MgU2(PO11)2 by Materials Project

description: MgO6(UPO6)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules; two MgO6 clusters; and two UPO6 sheets oriented in the (0, 1, 0) direction. In each MgO6 cluster, Mg is bonded in a distorted square co-planar geometry to four O atoms. There are two shorter (1.96 Å) and two longer (2.46 Å) Mg–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mg atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a single-bond geometry to one O atom. In each UPO6 sheet, U is bonded to six O atoms to form UO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.27 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one P atom.
DOI: 10.17188/1662645
title: Materials Data on Nb3AgTe4 by Materials Project

description: Nb3AgTe4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Nb+2.33+ sites. In the first Nb+2.33+ site, Nb+2.33+ is bonded to six Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–67°. There are a spread of Nb–Te bond distances ranging from 2.76–3.13 Å. In the second Nb+2.33+ site, Nb+2.33+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Nb–Te bond distances ranging from 2.76–3.12 Å. In the third Nb+2.33+ site, Nb+2.33+ is bonded to six Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–67°. There are a spread of Nb–Te bond distances ranging from 2.86–3.03 Å. Ag1+ is bonded in a 6-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 2.45 Å. There are two shorter (3.02 Å) and two longer (3.04 Å) Ag–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Nb+2.33+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to four Nb+2.33+ and two equivalent Ag1+ atoms. In the third Te2- site, Te2- is bonded to four Nb+2.33+ atoms to form a mixture of distorted edge and corner-sharing TeNb4 trigonal pyramids. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to four Nb+2.33+ and two equivalent Ag1+ atoms.