cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1752369
title: Materials Data on UAlCo by Materials Project

description: UCoAl is alpha-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to four U, five Co, and seven Al atoms. There are a spread of U–U bond distances ranging from 3.13–3.38 Å. There are three shorter (2.83 Å) and two longer (3.08 Å) U–Co bond lengths. There are a spread of U–Al bond distances ranging from 3.07–3.13 Å. In the second U site, U is bonded in a 11-coordinate geometry to four U, seven Co, and five Al atoms. The U–U bond length is 2.63 Å. There are a spread of U–Co bond distances ranging from 2.93–3.03 Å. There are a spread of U–Al bond distances ranging from 3.04–3.17 Å. In the third U site, U is bonded in a 11-coordinate geometry to four U, seven Co, and five Al atoms. There are two shorter (3.21 Å) and one longer (3.38 Å) U–U bond lengths. There are a spread of U–Co bond distances ranging from 2.93–3.03 Å. There are a spread of U–Al bond distances ranging from 3.04–3.17 Å. In the fourth U site, U is bonded in a 12-coordinate geometry to four U, five Co, and seven Al atoms. There are three shorter (2.83 Å) and two longer (3.08 Å) U–Co bond lengths. There are a spread of U–Al bond distances ranging from 3.07–3.13 Å. In the fifth U site, U is bonded in a 12-coordinate geometry to four U, five Co, and seven Al atoms. The U–U bond length is 3.13 Å. There are three shorter (2.83 Å) and two longer (3.08 Å) U–Co bond lengths. There are a spread of U–Al bond distances ranging from 3.07–3.13 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six U and six Al atoms to form CoU6Al6 cuboctahedra that share corners with four equivalent CoU6Al6 cuboctahedra, edges with two equivalent CoU6Al6 cuboctahedra, and faces with eight equivalent AlU6Al4Co2 cuboctahedra. There are a spread of Co–Al bond distances ranging from 2.61–2.73 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six U, four Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.51–2.80 Å. Both Co–Al bond lengths are 2.46 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to six U, four equivalent Co, and two equivalent Al atoms. Both Co–Al bond lengths are 2.47 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to six U, four Co, and two equivalent Al atoms. Both Al–Al bond lengths are 2.64 Å. In the second Al site, Al is bonded to six U, two equivalent Co, and four Al atoms to form distorted AlU6Al4Co2 cuboctahedra that share corners with four equivalent AlU6Al4Co2 cuboctahedra, edges with two equivalent AlU6Al4Co2 cuboctahedra, faces with four equivalent CoU6Al6 cuboctahedra, and faces with four equivalent AlU6Al4Co2 cuboctahedra. There are one shorter (2.59 Å) and one longer (2.71 Å) Al–Al bond lengths.
DOI: 10.17188/1752370
title: Materials Data on Al2Co3(SiO4)3 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: 10.17188/1752371
title: Materials Data on MnNi2Sb by Materials Project

description: Ni2MnSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to ten Ni and four equivalent Sb atoms. There are four shorter (2.61 Å) and six longer (3.02 Å) Mn–Ni bond lengths. All Mn–Sb bond lengths are 2.61 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent Mn and four equivalent Ni atoms. All Ni–Ni bond lengths are 2.61 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to six equivalent Mn, four equivalent Ni, and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.61 Å. Sb is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Ni atoms.
DOI: 10.17188/1752372
title: Materials Data on Li3V3P8O29 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: 10.17188/1752373
title: Materials Data on Cu(N3Cl)2 by Materials Project

description: Cu(N3Cl)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Cu2+ is bonded in an octahedral geometry to six N atoms. There are a spread of Cu–N bond distances ranging from 1.87–1.93 Å. There are five inequivalent N sites. In the first N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. There are three shorter (2.71 Å) and one longer (2.72 Å) N–Cl bond lengths. In the second N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.70 Å. In the third N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.70 Å. In the fourth N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.98 Å. In the fifth N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.98 Å. Cl1- is bonded in a 8-coordinate geometry to twelve N atoms.
DOI: 10.17188/1752374
title: Materials Data on BaS2(NO3)2 by Materials Project

description: Ba(SO3)2N2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of eight ammonia molecules and one Ba(SO3)2 framework. In the Ba(SO3)2 framework, Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–2.97 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.47 Å) and one longer (1.48 Å) S–O bond length. In the second S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one S2+ atom.
DOI: 10.17188/1752375
title: Materials Data on Li4CrTe(WO6)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: 10.17188/1752376
title: Materials Data on LiNiPO4 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: 10.17188/1752377
title: Materials Data on K4V3S5O23 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: 10.17188/1752378
title: Materials Data on Bi4BPO10 by Materials Project

description: Bi4O3(BO3)(PO4) crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.40 Å) B–O bond length. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.62 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.46 Å. In the third Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–3.06 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.80 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.58 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Bi3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Bi3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Bi3+ atoms. In the eighth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Bi3+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Bi3+ atoms.
DOI: 10.17188/1752379
title: Materials Data on ZnCr4CdS8 by Materials Project

description: Cr4CdZnS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with three equivalent CdS4 tetrahedra, corners with three equivalent ZnS4 tetrahedra, and edges with six equivalent CrS6 octahedra. There are three shorter (2.40 Å) and three longer (2.44 Å) Cr–S bond lengths. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Cd–S bond lengths are 2.49 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–S bond lengths are 2.40 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Cr3+ and one Cd2+ atom to form distorted SCr3Cd tetrahedra that share corners with three equivalent SCr3Cd tetrahedra, corners with nine equivalent SZnCr3 trigonal pyramids, and edges with three equivalent SCr3Cd tetrahedra. In the second S2- site, S2- is bonded to three equivalent Cr3+ and one Zn2+ atom to form distorted SZnCr3 trigonal pyramids that share corners with nine equivalent SCr3Cd tetrahedra, corners with three equivalent SZnCr3 trigonal pyramids, and edges with three equivalent SZnCr3 trigonal pyramids.
DOI: 10.17188/1752380
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.81–3.24 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.67–3.05 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.42–2.67 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Mg and four Si atoms. The Si–Si bond length is 2.70 Å. In the third Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.44–2.70 Å. In the fourth Si site, Si is bonded in a 1-coordinate geometry to five Mg and four Si atoms.
DOI: 10.17188/1752382
title: Materials Data on CsGa(SO4)2 by Materials Project

description: CsGa(SO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent O2- atoms to form distorted CsO6 cuboctahedra that share corners with six equivalent SO4 tetrahedra and edges with six equivalent CsO6 cuboctahedra. All Cs–O bond lengths are 3.09 Å. Ga3+ is bonded to six equivalent O2- atoms to form distorted GaO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Ga–O bond lengths are 2.01 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent CsO6 cuboctahedra and corners with three equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There is one shorter (1.46 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one S6+ atom.
DOI: 10.17188/1752383
title: Materials Data on CeTh by Materials Project

description: ThCe crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Ce atoms to form ThCe6Th6 cuboctahedra that share corners with twelve ThCe6Th6 cuboctahedra, edges with twelve ThCe6Th6 cuboctahedra, edges with twelve CeCe6Th6 cuboctahedra, faces with six equivalent ThCe6Th6 cuboctahedra, and faces with twelve CeCe6Th6 cuboctahedra. All Th–Th bond lengths are 3.45 Å. All Th–Ce bond lengths are 3.46 Å. In the second Th site, Th is bonded to ten equivalent Th and six Ce atoms to form ThCe6Th10 cuboctahedra that share corners with ten CeCe6Th6 cuboctahedra, corners with twelve ThCe6Th6 cuboctahedra, edges with eight CeCe6Th6 cuboctahedra, edges with sixteen ThCe6Th6 cuboctahedra, faces with sixteen equivalent ThCe6Th10 cuboctahedra, and faces with eighteen CeCe6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.45–6.90 Å. All Th–Ce bond lengths are 3.46 Å. There are three inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Th and six equivalent Ce atoms to form CeCe6Th6 cuboctahedra that share corners with twelve CeCe6Th6 cuboctahedra, edges with twelve equivalent ThCe6Th6 cuboctahedra, edges with twelve CeCe6Th6 cuboctahedra, faces with six equivalent CeCe6Th6 cuboctahedra, and faces with twelve equivalent ThCe6Th6 cuboctahedra. All Ce–Ce bond lengths are 3.45 Å. In the second Ce site, Ce is bonded to six Th and six equivalent Ce atoms to form CeCe6Th6 cuboctahedra that share corners with five equivalent ThCe6Th10 cuboctahedra, corners with twelve CeCe6Th6 cuboctahedra, edges with ten ThCe6Th6 cuboctahedra, edges with twelve CeCe6Th6 cuboctahedra, faces with six equivalent CeCe6Th6 cuboctahedra, and faces with fifteen ThCe6Th6 cuboctahedra. All Ce–Th bond lengths are 3.46 Å. All Ce–Ce bond lengths are 3.45 Å. In the third Ce site, Ce is bonded to six Th and six equivalent Ce atoms to form CeCe6Th6 cuboctahedra that share corners with five equivalent ThCe6Th10 cuboctahedra, corners with twelve CeCe6Th6 cuboctahedra, edges with ten ThCe6Th6 cuboctahedra, edges with twelve CeCe6Th6 cuboctahedra, faces with six equivalent CeCe6Th6 cuboctahedra, and faces with fifteen ThCe6Th6 cuboctahedra. All Ce–Ce bond lengths are 3.45 Å.
DOI: 10.17188/1752384
title: Materials Data on Mg2Ga by Materials Project

description: Mg2Ga crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven equivalent Mg and five equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.17 Å. There are a spread of Mg–Ga bond distances ranging from 2.95–3.13 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.17 Å. There are a spread of Mg–Ga bond distances ranging from 2.95–3.13 Å. Ga is bonded in a 10-coordinate geometry to ten Mg atoms.
DOI: 10.17188/1752385
title: Materials Data on Dy3(Si3Ru)4 by Materials Project

description: Dy3(RuSi3)4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to twelve Si2- atoms to form DySi12 cuboctahedra that share corners with four equivalent DySi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with eight equivalent DySi12 cuboctahedra, and faces with four equivalent RuSi7 hexagonal pyramids. There are a spread of Dy–Si bond distances ranging from 3.03–3.10 Å. In the second Dy3+ site, Dy3+ is bonded to twelve Si2- atoms to form distorted DySi12 cuboctahedra that share corners with four equivalent DySi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with four equivalent DySi12 cuboctahedra, edges with two equivalent RuSi7 hexagonal pyramids, and faces with four equivalent DySi12 cuboctahedra. There are a spread of Dy–Si bond distances ranging from 2.98–3.23 Å. There are two inequivalent Ru+3.75+ sites. In the first Ru+3.75+ site, Ru+3.75+ is bonded to seven Si2- atoms to form distorted RuSi7 hexagonal pyramids that share corners with six DySi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with two equivalent DySi12 cuboctahedra, an edgeedge with one RuSi7 hexagonal pyramid, and faces with two equivalent DySi12 cuboctahedra. There are a spread of Ru–Si bond distances ranging from 2.37–2.52 Å. In the second Ru+3.75+ site, Ru+3.75+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are one shorter (2.33 Å) and four longer (2.41 Å) Ru–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 1-coordinate geometry to four equivalent Dy3+, one Ru+3.75+, and four Si2- atoms. All Si–Si bond lengths are 2.47 Å. In the second Si2- site, Si2- is bonded in a 9-coordinate geometry to two equivalent Dy3+, three equivalent Ru+3.75+, and four Si2- atoms. There are two shorter (2.63 Å) and two longer (2.64 Å) Si–Si bond lengths. In the third Si2- site, Si2- is bonded in a 2-coordinate geometry to three Dy3+, two Ru+3.75+, and four Si2- atoms. There are one shorter (2.56 Å) and one longer (2.71 Å) Si–Si bond lengths. In the fourth Si2- site, Si2- is bonded in a 2-coordinate geometry to three Dy3+, two Ru+3.75+, and four Si2- atoms.
DOI: 10.17188/1752386
title: Materials Data on BaReH9 by Materials Project

description: BaReH9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to eighteen H+0.56- atoms. There are a spread of Ba–H bond distances ranging from 2.67–3.11 Å. Re3+ is bonded in a 9-coordinate geometry to nine H+0.56- atoms. There is three shorter (1.68 Å) and six longer (1.72 Å) Re–H bond length. There are four inequivalent H+0.56- sites. In the first H+0.56- site, H+0.56- is bonded in a single-bond geometry to two equivalent Ba2+ and one Re3+ atom. In the second H+0.56- site, H+0.56- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+ and one Re3+ atom. In the third H+0.56- site, H+0.56- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Re3+ atom. In the fourth H+0.56- site, H+0.56- is bonded in a single-bond geometry to two equivalent Ba2+ and one Re3+ atom.
DOI: 10.17188/1752387
title: Materials Data on Na11Mn24O48 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: 10.17188/1752389
title: Materials Data on Li3V4FeO12 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: 10.17188/1752390
title: Materials Data on AgMo6Cl13 by Materials Project

description: Mo6AgCl13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to five Cl1- atoms to form edge-sharing MoCl5 square pyramids. There are a spread of Mo–Cl bond distances ranging from 2.47–2.50 Å. In the second Mo2+ site, Mo2+ is bonded to five Cl1- atoms to form edge-sharing MoCl5 square pyramids. There are one shorter (2.46 Å) and four longer (2.49 Å) Mo–Cl bond lengths. In the third Mo2+ site, Mo2+ is bonded to five Cl1- atoms to form edge-sharing MoCl5 square pyramids. There are a spread of Mo–Cl bond distances ranging from 2.46–2.50 Å. In the fourth Mo2+ site, Mo2+ is bonded to five Cl1- atoms to form edge-sharing MoCl5 square pyramids. There are a spread of Mo–Cl bond distances ranging from 2.45–2.49 Å. In the fifth Mo2+ site, Mo2+ is bonded to five Cl1- atoms to form a mixture of edge and corner-sharing MoCl5 square pyramids. There are a spread of Mo–Cl bond distances ranging from 2.48–2.58 Å. In the sixth Mo2+ site, Mo2+ is bonded to five Cl1- atoms to form a mixture of edge and corner-sharing MoCl5 square pyramids. There are a spread of Mo–Cl bond distances ranging from 2.47–2.60 Å. Ag1+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of Ag–Cl bond distances ranging from 2.63–2.74 Å. There are thirteen inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Mo2+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Mo2+ and one Ag1+ atom. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Mo2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to one Mo2+ and one Ag1+ atom. In the fifth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Mo2+ and one Ag1+ atom. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Mo2+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Mo2+ and one Ag1+ atom. In the eighth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Mo2+ atoms. In the ninth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Mo2+ atoms. In the tenth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three Mo2+ atoms. In the eleventh Cl1- site, Cl1- is bonded in a 6-coordinate geometry to three Mo2+ atoms. In the twelfth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Mo2+ atoms. In the thirteenth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Mo2+ atoms.