cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1275268
title: Materials Data on Nb2Cr4Si5 by Materials Project

description: Nb2Cr4Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Nb2+ is bonded to six Si+2.40- atoms to form distorted NbSi6 octahedra that share corners with four equivalent NbSi6 octahedra, corners with six equivalent CrSi7 pentagonal bipyramids, edges with two equivalent NbSi6 octahedra, faces with two equivalent NbSi6 octahedra, and faces with four equivalent CrSi7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. There are a spread of Nb–Si bond distances ranging from 2.58–2.64 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a 7-coordinate geometry to seven Si+2.40- atoms. There are a spread of Cr–Si bond distances ranging from 2.29–2.82 Å. In the second Cr2+ site, Cr2+ is bonded to seven Si+2.40- atoms to form distorted CrSi7 pentagonal bipyramids that share corners with six equivalent NbSi6 octahedra, corners with six equivalent CrSi7 pentagonal bipyramids, edges with three equivalent CrSi7 pentagonal bipyramids, faces with four equivalent NbSi6 octahedra, and faces with two equivalent CrSi7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–54°. There are a spread of Cr–Si bond distances ranging from 2.52–2.93 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to two equivalent Nb2+, five Cr2+, and one Si+2.40- atom. The Si–Si bond length is 2.37 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Nb2+ and five Cr2+ atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to eight Cr2+ and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.56 Å.
DOI: 10.17188/1275269
title: Materials Data on Si3Ir by Materials Project

description: IrSi3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ir4+ is bonded in a 9-coordinate geometry to nine equivalent Si+1.33- atoms. There are three shorter (2.51 Å) and six longer (2.64 Å) Ir–Si bond lengths. Si+1.33- is bonded in a 7-coordinate geometry to three equivalent Ir4+ and four equivalent Si+1.33- atoms. There are two shorter (2.38 Å) and two longer (2.40 Å) Si–Si bond lengths.
DOI: 10.17188/1275270
title: Materials Data on B2W by Materials Project

description: WB2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W6+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of W–B bond distances ranging from 2.22–2.38 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent W6+ and three equivalent B3- atoms. All B–B bond lengths are 1.74 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent W6+ and three equivalent B3- atoms. In the third B3- site, B3- is bonded in a 7-coordinate geometry to four equivalent W6+ and three equivalent B3- atoms. All B–B bond lengths are 1.86 Å.
DOI: 10.17188/1275271
title: Materials Data on Er5Zr3(Ni4As3)4 by Materials Project

description: Er5Zr3(Ni4As3)4 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to ten Ni and six As atoms. There are a spread of Er–Ni bond distances ranging from 3.05–3.32 Å. There are two shorter (2.93 Å) and four longer (3.02 Å) Er–As bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to nine Ni and six equivalent As atoms. All Er–Ni bond lengths are 3.21 Å. All Er–As bond lengths are 2.97 Å. Zr is bonded in a 1-coordinate geometry to eight Ni and five As atoms. There are a spread of Zr–Ni bond distances ranging from 2.81–2.97 Å. There are one shorter (2.65 Å) and four longer (2.79 Å) Zr–As bond lengths. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to three Er, two equivalent Zr, and four As atoms. There are a spread of Ni–As bond distances ranging from 2.39–2.52 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Zr, and four As atoms. There are two shorter (2.32 Å) and two longer (2.43 Å) Ni–As bond lengths. In the third Ni site, Ni is bonded in a 4-coordinate geometry to three Er, one Zr, and four As atoms. There are a spread of Ni–As bond distances ranging from 2.33–2.44 Å. In the fourth Ni site, Ni is bonded in a distorted trigonal planar geometry to six equivalent Er and three equivalent As atoms. All Ni–As bond lengths are 2.26 Å. There are three inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to four equivalent Er and five Ni atoms. In the second As site, As is bonded in a 9-coordinate geometry to two equivalent Er, one Zr, and six Ni atoms. In the third As site, As is bonded in a 9-coordinate geometry to two equivalent Er, two equivalent Zr, and five Ni atoms.
DOI: 10.17188/1275272
title: Materials Data on K5Na(Ti2Se9)3 by Materials Project

description: K5Na(Ti2Se9)3 crystallizes in the trigonal P31c 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 six Se+1.11- atoms. There are a spread of K–Se bond distances ranging from 3.36–3.64 Å. In the second K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve Se+1.11- atoms. There are a spread of K–Se bond distances ranging from 3.60–3.93 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Se+1.11- atoms. There are a spread of K–Se bond distances ranging from 3.51–3.64 Å. Na1+ is bonded to six Se+1.11- atoms to form NaSe6 octahedra that share corners with six TiSe7 pentagonal bipyramids. There are three shorter (3.02 Å) and three longer (3.05 Å) Na–Se bond lengths. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to seven Se+1.11- atoms to form distorted TiSe7 pentagonal bipyramids that share a cornercorner with one NaSe6 octahedra, an edgeedge with one TiSe7 pentagonal bipyramid, and a faceface with one TiSe7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 52°. There are a spread of Ti–Se bond distances ranging from 2.53–2.76 Å. In the second Ti4+ site, Ti4+ is bonded to seven Se+1.11- atoms to form distorted TiSe7 pentagonal bipyramids that share a cornercorner with one NaSe6 octahedra, an edgeedge with one TiSe7 pentagonal bipyramid, and a faceface with one TiSe7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 57°. There are a spread of Ti–Se bond distances ranging from 2.52–2.80 Å. There are nine inequivalent Se+1.11- sites. In the first Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to one K1+, one Na1+, one Ti4+, and one Se+1.11- atom. The Se–Se bond length is 2.39 Å. In the second Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to one K1+, two Ti4+, and one Se+1.11- atom. The Se–Se bond length is 2.41 Å. In the third Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to one K1+, two Ti4+, and one Se+1.11- atom. The Se–Se bond length is 2.42 Å. In the fourth Se+1.11- site, Se+1.11- is bonded to four K1+ and two Ti4+ atoms to form distorted face-sharing SeK4Ti2 octahedra. In the fifth Se+1.11- site, Se+1.11- is bonded in a 1-coordinate geometry to one K1+, one Ti4+, and one Se+1.11- atom. In the sixth Se+1.11- site, Se+1.11- is bonded in a 1-coordinate geometry to two K1+ and one Ti4+ atom. In the seventh Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to one K1+ and two Ti4+ atoms. In the eighth Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to one K1+, one Na1+, one Ti4+, and one Se+1.11- atom. In the ninth Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to one K1+, two Ti4+, and one Se+1.11- atom.
DOI: 10.17188/1275275
title: Materials Data on BaN3Cl by Materials Project

description: BaN3Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five N+0.33- and four equivalent Cl1- atoms. There are a spread of Ba–N bond distances ranging from 2.99–3.02 Å. There are a spread of Ba–Cl bond distances ranging from 3.16–3.21 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded to three equivalent Ba2+ and one N+0.33- atom to form NBa3N tetrahedra that share corners with two equivalent NBa3N tetrahedra, corners with ten equivalent ClBa4 tetrahedra, an edgeedge with one ClBa4 tetrahedra, and edges with two equivalent NBa3N tetrahedra. The N–N bond length is 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the third N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. Cl1- is bonded to four equivalent Ba2+ atoms to form distorted ClBa4 tetrahedra that share corners with four equivalent ClBa4 tetrahedra, corners with ten equivalent NBa3N tetrahedra, an edgeedge with one NBa3N tetrahedra, and edges with four equivalent ClBa4 tetrahedra.
DOI: 10.17188/1275276
title: Materials Data on In5AgTe8 by Materials Project

description: AgIn5Te8 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with eight equivalent InTe4 tetrahedra. All Ag–Te bond lengths are 2.83 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with two equivalent AgTe4 tetrahedra and corners with six InTe4 tetrahedra. There are two shorter (2.81 Å) and two longer (2.91 Å) In–Te bond lengths. In the second In3+ site, In3+ is bonded to four equivalent Te2- atoms to form corner-sharing InTe4 tetrahedra. All In–Te bond lengths are 2.87 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to one Ag1+ and two equivalent In3+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three In3+ atoms.
DOI: 10.17188/1275277
title: Materials Data on TiBr4 by Materials Project

description: TiBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight tibr4 molecules. Ti4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Ti–Br bond lengths are 2.34 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ti4+ atom.
DOI: 10.17188/1275278
title: Materials Data on Si2Ru by Materials Project

description: RuSi2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Ru–Si bond distances ranging from 2.46–2.49 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Ru–Si bond distances ranging from 2.46–2.53 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four Ru and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.58–2.70 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to four Ru and five Si atoms. There are one shorter (2.55 Å) and one longer (2.59 Å) Si–Si bond lengths.
DOI: 10.17188/1275279
title: Materials Data on Th7Os3 by Materials Project

description: Th7Os3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a distorted water-like geometry to two equivalent Os atoms. Both Th–Os bond lengths are 2.87 Å. In the second Th site, Th is bonded in a 3-coordinate geometry to three equivalent Os atoms. There are two shorter (2.89 Å) and one longer (3.05 Å) Th–Os bond lengths. In the third Th site, Th is bonded in a 3-coordinate geometry to three equivalent Os atoms. All Th–Os bond lengths are 2.95 Å. Os is bonded in a 6-coordinate geometry to six Th atoms.
DOI: 10.17188/1275280
title: Materials Data on Bi(W2Cl5)3 by Materials Project

description: Bi(W2Cl5)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are six inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.45–2.52 Å. In the second W2+ site, W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.48–2.52 Å. In the third W2+ site, W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.50–2.52 Å. In the fourth W2+ site, W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.48–2.52 Å. In the fifth W2+ site, W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.50–2.52 Å. In the sixth W2+ site, W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.49–2.51 Å. Bi3+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.52–3.20 Å. There are fifteen inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one W2+ and one Bi3+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three W2+ atoms. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three W2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one W2+ and one Bi3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three W2+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to one W2+ and one Bi3+ atom. In the seventh Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one W2+ and one Bi3+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi3+ atom. In the ninth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three W2+ atoms. In the tenth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three W2+ atoms. In the eleventh Cl1- site, Cl1- is bonded in a 12-coordinate geometry to three W2+ atoms. In the twelfth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one W2+ and one Bi3+ atom. In the thirteenth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three W2+ atoms. In the fourteenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three W2+ atoms. In the fifteenth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one W2+ and one Bi3+ atom.
DOI: 10.17188/1275281
title: Materials Data on YInAg2 by Materials Project

description: YAg2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent In atoms. All Y–Ag bond lengths are 3.04 Å. All Y–In bond lengths are 3.51 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent In atoms. All Ag–In bond lengths are 3.04 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Y and eight equivalent Ag atoms.
DOI: 10.17188/1275282
title: Materials Data on Te2WCl6 by Materials Project

description: WCl6(Te)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four tellurium molecules and two tungsten(vi) chloride molecules.
DOI: 10.17188/1275283
title: Materials Data on Dy10Si17 by Materials Project

description: Dy10Si17 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to eleven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.95–3.36 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to ten Si atoms. There are a spread of Dy–Si bond distances ranging from 2.91–3.31 Å. In the third Dy site, Dy is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Dy–Si bond distances ranging from 2.92–3.25 Å. There are ten inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are one shorter (2.39 Å) and two longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to six Dy and two equivalent Si atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to six Dy and two Si atoms. The Si–Si bond length is 2.42 Å. In the fourth Si site, Si is bonded in a 8-coordinate geometry to six Dy and two Si atoms. There are one shorter (2.39 Å) and one longer (2.43 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are one shorter (2.35 Å) and two longer (2.44 Å) Si–Si bond lengths. In the sixth Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. The Si–Si bond length is 2.43 Å. In the seventh Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are one shorter (2.33 Å) and one longer (2.40 Å) Si–Si bond lengths. In the eighth Si site, Si is bonded in a 8-coordinate geometry to six Dy and two Si atoms. In the ninth Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. In the tenth Si site, Si is bonded in a 6-coordinate geometry to six Dy and two Si atoms.
DOI: 10.17188/1275284
title: Materials Data on K2Ge2Se5 by Materials Project

description: K2Ge2Se5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.42–3.93 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of K–Se bond distances ranging from 3.29–3.73 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.41–3.88 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.30–3.98 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.29–2.44 Å. In the second Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.31–2.43 Å. In the third Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.31–2.42 Å. In the fourth Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.31–2.42 Å. There are ten inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four K1+ and one Ge4+ atom to form distorted SeK4Ge trigonal bipyramids that share a cornercorner with one SeK3Ge2 square pyramid, corners with three equivalent SeK3Ge trigonal pyramids, edges with two equivalent SeK3Ge2 square pyramids, and an edgeedge with one SeK4Ge trigonal bipyramid. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to one K1+ and two Ge4+ atoms. In the third Se2- site, Se2- is bonded in a distorted water-like geometry to two K1+ and two Ge4+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted water-like geometry to one K1+ and two Ge4+ atoms. In the fifth Se2- site, Se2- is bonded to three K1+ and one Ge4+ atom to form distorted SeK3Ge trigonal pyramids that share corners with three equivalent SeK4Ge trigonal bipyramids and an edgeedge with one SeK3Ge2 square pyramid. In the sixth Se2- site, Se2- is bonded to three K1+ and two Ge4+ atoms to form distorted SeK3Ge2 square pyramids that share a cornercorner with one SeK4Ge trigonal bipyramid, an edgeedge with one SeK3Ge2 square pyramid, edges with two equivalent SeK4Ge trigonal bipyramids, and an edgeedge with one SeK3Ge trigonal pyramid. In the seventh Se2- site, Se2- is bonded in a distorted water-like geometry to three K1+ and two Ge4+ atoms. In the eighth Se2- site, Se2- is bonded in a 5-coordinate geometry to four K1+ and one Ge4+ atom. In the ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to four K1+ and one Ge4+ atom. In the tenth Se2- site, Se2- is bonded in a 2-coordinate geometry to three K1+ and two Ge4+ atoms.
DOI: 10.17188/1275285
title: Materials Data on Te2PdBr6 by Materials Project

description: PdTe2Br6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four PdTe2Br6 clusters. Pd4+ is bonded in an L-shaped geometry to two Br1- atoms. There are one shorter (2.51 Å) and one longer (2.58 Å) Pd–Br bond lengths. There are two inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a distorted rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.58–3.07 Å. In the second Te1+ site, Te1+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.53–3.35 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Te1+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Te1+ atom. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pd4+ and one Te1+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Te1+ atom. In the fifth Br1- site, Br1- is bonded in a distorted single-bond geometry to two Te1+ atoms. In the sixth Br1- site, Br1- is bonded in a 1-coordinate geometry to one Pd4+ and two Te1+ atoms.