cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1741358
title: Materials Data on Zn3CrTe4 by Materials Project

description: CrZn3Te4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cr2+ is bonded to four equivalent Te2- atoms to form CrTe4 tetrahedra that share corners with twelve equivalent ZnTe4 tetrahedra. All Cr–Te bond lengths are 2.69 Å. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with four equivalent CrTe4 tetrahedra and corners with eight equivalent ZnTe4 tetrahedra. All Zn–Te bond lengths are 2.68 Å. Te2- is bonded to one Cr2+ and three equivalent Zn2+ atoms to form corner-sharing TeZn3Cr tetrahedra.
DOI: 10.17188/1741359
title: Materials Data on MoF5 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: 10.17188/1741360
title: Materials Data on Zn9Fe4 by Materials Project

description: Fe4Zn9 is gamma-brass-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to three Fe and ten Zn atoms. There are a spread of Fe–Fe bond distances ranging from 2.53–2.68 Å. There are a spread of Fe–Zn bond distances ranging from 2.59–2.91 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to two Fe and eleven Zn atoms. There are one shorter (2.51 Å) and one longer (2.53 Å) Fe–Fe bond lengths. There are a spread of Fe–Zn bond distances ranging from 2.64–2.96 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to three Fe and ten Zn atoms. Both Fe–Fe bond lengths are 2.56 Å. There are a spread of Fe–Zn bond distances ranging from 2.57–2.88 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to six Fe and six Zn atoms. There are one shorter (2.65 Å) and two longer (2.68 Å) Fe–Fe bond lengths. There are five shorter (2.62 Å) and one longer (2.67 Å) Fe–Zn bond lengths. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to five Fe and seven Zn atoms. There are one shorter (2.60 Å) and one longer (2.64 Å) Fe–Fe bond lengths. There are a spread of Fe–Zn bond distances ranging from 2.57–2.75 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to four Fe and eight Zn atoms. There are a spread of Fe–Zn bond distances ranging from 2.54–2.85 Å. There are eleven inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to four Fe and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.69 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to five Fe and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.65 Å. In the third Zn site, Zn is bonded in a 11-coordinate geometry to three Fe and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.88 Å. In the fourth Zn site, Zn is bonded in a 11-coordinate geometry to four Fe and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.98 Å. In the fifth Zn site, Zn is bonded in a 11-coordinate geometry to four Fe and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.55–2.88 Å. In the sixth Zn site, Zn is bonded in a 11-coordinate geometry to three Fe and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.87 Å. In the seventh Zn site, Zn is bonded in a 1-coordinate geometry to three Fe and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.89 Å. In the eighth Zn site, Zn is bonded in a 12-coordinate geometry to four Fe and eight Zn atoms. Both Zn–Zn bond lengths are 2.75 Å. In the ninth Zn site, Zn is bonded in a 12-coordinate geometry to five Fe and seven Zn atoms. The Zn–Zn bond length is 2.76 Å. In the tenth Zn site, Zn is bonded in a 12-coordinate geometry to six Fe and six Zn atoms. In the eleventh Zn site, Zn is bonded in a 5-coordinate geometry to three Fe and ten Zn atoms.
DOI: 10.17188/1741361
title: Materials Data on Ho2CuIr by Materials Project

description: Ho2IrCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Cu atoms. All Ho–Ir bond lengths are 2.97 Å. All Ho–Cu bond lengths are 2.97 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1741362
title: Materials Data on Pt(NCl2)2 by Materials Project

description: Pt(NCl2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Pt(NCl2)2 clusters. Pt2+ is bonded in a 6-coordinate geometry to two equivalent N1+ and four Cl1- atoms. Both Pt–N bond lengths are 1.96 Å. There are two shorter (2.35 Å) and two longer (2.62 Å) Pt–Cl bond lengths. N1+ is bonded in an L-shaped geometry to one Pt2+ and one Cl1- atom. The N–Cl bond length is 1.69 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt2+ and one N1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom.
DOI: 10.17188/1741363
title: Materials Data on Li(NdGe)4 by Materials Project

description: Nd4LiGe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a T-shaped geometry to three Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.79–2.97 Å. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.08–3.63 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nd–Ge bond distances ranging from 2.97–3.13 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, six Nd, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to seven Nd and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Li, six Nd, and one Ge atom.
DOI: 10.17188/1741364
title: Materials Data on Bi3Au by Materials Project

description: AuBi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Bi atoms. All Au–Bi bond lengths are 3.33 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted body-centered cubic geometry to four equivalent Au and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.33 Å. In the second Bi site, Bi is bonded in a body-centered cubic geometry to eight equivalent Bi atoms.
DOI: 10.17188/1741365
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Ce–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a bent 120 degrees geometry to two equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a bent 150 degrees geometry to two equivalent Ce4+ atoms.
DOI: 10.17188/1741366
title: Materials Data on KBOF2 by Materials Project

description: KBOF2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to two O2- and eight F1- atoms. There are one shorter (2.79 Å) and one longer (3.02 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.75–3.11 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to two O2- and seven F1- atoms. There are one shorter (2.69 Å) and one longer (2.74 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.67–3.08 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to three O2- and six F1- atoms. There are a spread of K–O bond distances ranging from 2.76–3.07 Å. There are a spread of K–F bond distances ranging from 2.77–3.10 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to two O2- and two F1- atoms to form corner-sharing BO2F2 tetrahedra. Both B–O bond lengths are 1.43 Å. Both B–F bond lengths are 1.48 Å. In the second B3+ site, B3+ is bonded to two O2- and two F1- atoms to form corner-sharing BO2F2 tetrahedra. There is one shorter (1.43 Å) and one longer (1.44 Å) B–O bond length. There is one shorter (1.48 Å) and one longer (1.49 Å) B–F bond length. In the third B3+ site, B3+ is bonded to two O2- and two F1- atoms to form corner-sharing BO2F2 tetrahedra. Both B–O bond lengths are 1.43 Å. Both B–F bond lengths are 1.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to three K1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+ and two B3+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one B3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one B3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one B3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one B3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one B3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to three K1+ and one B3+ atom.
DOI: 10.17188/1741367
title: Materials Data on Rb3Sr by Materials Project

description: Rb3Sr crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight Rb and four equivalent Sr atoms to form RbRb8Sr4 cuboctahedra that share corners with twelve equivalent RbRb8Sr4 cuboctahedra, edges with eight equivalent SrRb12 cuboctahedra, edges with sixteen RbRb8Sr4 cuboctahedra, faces with four equivalent SrRb12 cuboctahedra, and faces with fourteen RbRb8Sr4 cuboctahedra. There are four shorter (4.82 Å) and four longer (4.86 Å) Rb–Rb bond lengths. All Rb–Sr bond lengths are 4.86 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Sr atoms to form RbRb8Sr4 cuboctahedra that share corners with four equivalent RbRb8Sr4 cuboctahedra, corners with eight equivalent SrRb12 cuboctahedra, edges with twenty-four RbRb8Sr4 cuboctahedra, faces with six equivalent SrRb12 cuboctahedra, and faces with twelve RbRb8Sr4 cuboctahedra. All Rb–Sr bond lengths are 4.82 Å. Sr is bonded to twelve Rb atoms to form SrRb12 cuboctahedra that share corners with four equivalent SrRb12 cuboctahedra, corners with eight equivalent RbRb8Sr4 cuboctahedra, edges with eight equivalent SrRb12 cuboctahedra, edges with sixteen equivalent RbRb8Sr4 cuboctahedra, faces with four equivalent SrRb12 cuboctahedra, and faces with fourteen RbRb8Sr4 cuboctahedra.
DOI: 10.17188/1741368
title: Materials Data on Li2InGa by Materials Project

description: Li2InGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2InGa ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to one In and one Ga atom. The Li–In bond length is 2.92 Å. The Li–Ga bond length is 2.78 Å. In is bonded in a linear geometry to two equivalent Li atoms. Ga is bonded in a linear geometry to two equivalent Li atoms.
DOI: 10.17188/1741369
title: Materials Data on Mn4Si4O13 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: 10.17188/1741371
title: Materials Data on Yb4Zr3O12 by Materials Project

description: Zr3Yb4O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share a cornercorner with one YbO7 hexagonal pyramid, a cornercorner with one ZrO6 octahedra, edges with three equivalent YbO7 hexagonal pyramids, an edgeedge with one ZrO6 octahedra, and edges with two equivalent YbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are a spread of Yb–O bond distances ranging from 2.27–2.46 Å. In the second Yb3+ site, Yb3+ is bonded to seven O2- atoms to form distorted YbO7 hexagonal pyramids that share a cornercorner with one ZrO6 octahedra, a cornercorner with one YbO7 pentagonal bipyramid, edges with two equivalent YbO7 hexagonal pyramids, an edgeedge with one ZrO6 octahedra, and edges with three equivalent YbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. There are a spread of Yb–O bond distances ranging from 2.30–2.43 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with two equivalent YbO7 hexagonal pyramids, corners with two equivalent YbO7 pentagonal bipyramids, edges with two equivalent YbO7 hexagonal pyramids, and edges with two equivalent YbO7 pentagonal bipyramids. There are a spread of Zr–O bond distances ranging from 2.10–2.14 Å. In the second Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Zr–O bond distances ranging from 2.08–2.36 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Yb3+ and one Zr4+ atom to form OYb3Zr tetrahedra that share corners with six OYb3Zr tetrahedra, corners with three equivalent OYbZr3 trigonal pyramids, and edges with three OYb3Zr tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two equivalent Zr4+ atoms. In the third O2- site, O2- is bonded to three Yb3+ and one Zr4+ atom to form distorted OYb3Zr tetrahedra that share corners with six OYb3Zr tetrahedra, corners with two equivalent OYbZr3 trigonal pyramids, edges with two OYb3Zr tetrahedra, and an edgeedge with one OYbZr3 trigonal pyramid. In the fourth O2- site, O2- is bonded to one Yb3+ and three Zr4+ atoms to form distorted OYbZr3 trigonal pyramids that share corners with seven OYb3Zr tetrahedra, a cornercorner with one OYbZr3 trigonal pyramid, edges with two OYb3Zr tetrahedra, and an edgeedge with one OYbZr3 trigonal pyramid. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Zr4+ atom. In the sixth O2- site, O2- is bonded to two equivalent Yb3+ and two Zr4+ atoms to form distorted OYb2Zr2 tetrahedra that share corners with seven OYb3Zr tetrahedra, corners with two equivalent OYbZr3 trigonal pyramids, edges with two OYb3Zr tetrahedra, and an edgeedge with one OYbZr3 trigonal pyramid.
DOI: 10.17188/1741372
title: Materials Data on Re2(CN2)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: 10.17188/1741373
title: Materials Data on TbB12 by Materials Project

description: TbB12 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All Tb–B bond lengths are 2.79 Å. B is bonded in a 7-coordinate geometry to two equivalent Tb and five equivalent B atoms. There is one shorter (1.72 Å) and four longer (1.79 Å) B–B bond length.
DOI: 10.17188/1741374
title: Materials Data on CsSb2F7 by Materials Project

description: CsSb2F7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 3.09–3.42 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.97–2.34 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Sb3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cs1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb3+ atom.
DOI: 10.17188/1741375
title: Materials Data on Zr3(Ni10B3)2 by Materials Project

description: Zr3Ni20B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to twelve equivalent Ni atoms to form distorted ZrNi12 cuboctahedra that share edges with twenty-four equivalent NiZrNi6B3 tetrahedra and faces with eight equivalent ZrNi16 tetrahedra. All Zr–Ni bond lengths are 2.60 Å. In the second Zr site, Zr is bonded to sixteen Ni atoms to form distorted ZrNi16 tetrahedra that share edges with six equivalent ZrNi16 tetrahedra, edges with twelve equivalent NiZrNi6B3 tetrahedra, faces with four equivalent ZrNi12 cuboctahedra, and faces with four equivalent NiZrNi6B3 tetrahedra. There are four shorter (2.52 Å) and twelve longer (2.92 Å) Zr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one Zr, six equivalent Ni, and three equivalent B atoms to form distorted NiZrNi6B3 tetrahedra that share corners with three equivalent NiZrNi6B3 tetrahedra, edges with three equivalent ZrNi12 cuboctahedra, edges with three equivalent ZrNi16 tetrahedra, edges with three equivalent NiZrNi6B3 tetrahedra, a faceface with one ZrNi16 tetrahedra, and faces with six equivalent NiZrNi6B3 tetrahedra. All Ni–Ni bond lengths are 2.67 Å. All Ni–B bond lengths are 2.13 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to three Zr, nine Ni, and two equivalent B atoms. There are one shorter (2.35 Å) and four longer (2.60 Å) Ni–Ni bond lengths. Both Ni–B bond lengths are 2.11 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.
DOI: 10.17188/1741376
title: Materials Data on Ba(CoN)2 by Materials Project

description: Ba(CoN)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 3.23 Å. Co2+ is bonded in a distorted trigonal planar geometry to three equivalent N3- atoms. There is one shorter (1.76 Å) and two longer (1.81 Å) Co–N bond length. N3- is bonded in a 3-coordinate geometry to four equivalent Ba2+ and three equivalent Co2+ atoms.
DOI: 10.17188/1741377
title: Materials Data on BaTiN2 by Materials Project

description: BaTiN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. All Ba–N bond lengths are 2.74 Å. Ti4+ is bonded to six equivalent N3- atoms to form edge-sharing TiN6 octahedra. All Ti–N bond lengths are 2.18 Å. N3- is bonded to three equivalent Ba2+ and three equivalent Ti4+ atoms to form a mixture of distorted edge, face, and corner-sharing NBa3Ti3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.
DOI: 10.17188/1741378
title: Materials Data on LiTi2VO6 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: 10.17188/1741379
title: Materials Data on Ti4CN3 by Materials Project

description: Ti4CN3 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ti+3.25+ sites. In the first Ti+3.25+ site, Ti+3.25+ is bonded to six N3- atoms to form a mixture of edge and corner-sharing TiN6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Ti–N bond lengths are 2.13 Å. In the second Ti+3.25+ site, Ti+3.25+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing TiC3N3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Ti–C bond lengths are 2.14 Å. All Ti–N bond lengths are 2.16 Å. C4- is bonded to six equivalent Ti+3.25+ atoms to form CTi6 octahedra that share corners with six equivalent NTi6 octahedra, edges with six equivalent CTi6 octahedra, and edges with six equivalent NTi6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six Ti+3.25+ atoms to form NTi6 octahedra that share corners with three equivalent CTi6 octahedra, corners with three equivalent NTi6 octahedra, edges with three equivalent CTi6 octahedra, and edges with nine NTi6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second N3- site, N3- is bonded to six equivalent Ti+3.25+ atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1741380
title: Materials Data on CoHgN6Cl5 by Materials Project

description: Co(N2Cl)3HgCl2 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two mercuric chloride molecules and two Co(N2Cl)3 clusters. In each Co(N2Cl)3 cluster, Co3+ is bonded in a 4-coordinate geometry to four N atoms. There are a spread of Co–N bond distances ranging from 1.79–2.08 Å. There are four inequivalent N sites. In the first N site, N is bonded in an L-shaped geometry to one Co3+ and one Cl1- atom. The N–Cl bond length is 1.70 Å. In the second N site, N is bonded in a single-bond geometry to one N atom. The N–N bond length is 1.20 Å. In the third N site, N is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.76 Å. In the fourth N site, N is bonded in a T-shaped geometry to one Co3+ and two equivalent N atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent N atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N atom.