cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1274028
title: Materials Data on Cs2In3 by Materials Project

description: Cs2In3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to five Cs and nine In atoms. There are one shorter (3.79 Å) and four longer (4.25 Å) Cs–Cs bond lengths. There are a spread of Cs–In bond distances ranging from 4.20–4.33 Å. In the second Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.39 Å) Cs–In bond lengths. In the third Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.57 Å) Cs–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Cs and five In atoms. There are a spread of In–In bond distances ranging from 2.92–3.24 Å. In the second In site, In is bonded in a 9-coordinate geometry to five Cs and four equivalent In atoms. In the third In site, In is bonded in a 9-coordinate geometry to five Cs and four equivalent In atoms. The In–Cs bond length is 4.20 Å. There are two shorter (3.10 Å) and two longer (3.24 Å) In–In bond lengths.
DOI: 10.17188/1274029
title: Materials Data on La3CuSnSe7 by Materials Project

description: La3CuSnSe7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 2.98–3.47 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.40 Å. Sn4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.52 Å) and three longer (2.57 Å) Sn–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Cu1+ atom. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Sn4+ atom. In the third Se2- site, Se2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Sn4+ atom.
DOI: 10.17188/1274030
title: Materials Data on La2CN3Cl by Materials Project

description: La2CN3Cl crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 2-coordinate geometry to four N3- and four equivalent Cl1- atoms. There are two shorter (2.35 Å) and two longer (2.64 Å) La–N bond lengths. All La–Cl bond lengths are 3.29 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to six N3- and one Cl1- atom. There are two shorter (2.39 Å) and four longer (2.64 Å) La–N bond lengths. The La–Cl bond length is 3.24 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing NLa4 tetrahedra. In the second N3- site, N3- is bonded in a 4-coordinate geometry to three La3+ and one C4+ atom. Cl1- is bonded in a 5-coordinate geometry to five La3+ atoms.
DOI: 10.17188/1274031
title: Materials Data on Pr(C2N3)3 by Materials Project

description: Pr(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Pr–N bond distances ranging from 2.54–2.98 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one Pr3+ and two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one Pr3+ and two equivalent C4+ atoms. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one C4+ atom.
DOI: 10.17188/1274032
title: Materials Data on CoCN2 by Materials Project

description: CoCN2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent N3- atoms to form edge-sharing CoN6 octahedra. All Co–N bond lengths are 2.13 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Co2+ and one C4+ atom.
DOI: 10.17188/1274033
title: Materials Data on YbCuGe by Materials Project

description: YbCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Yb is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing YbCu6Ge6 cuboctahedra. There are three shorter (3.01 Å) and three longer (3.08 Å) Yb–Cu bond lengths. There are three shorter (3.03 Å) and three longer (3.06 Å) Yb–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.49 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cu atoms.
DOI: 10.17188/1274034
title: Materials Data on Ca(SiPd)2 by Materials Project

description: Ca(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Si4- atoms to form CaSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent CaSi8 hexagonal bipyramids. All Ca–Si bond lengths are 3.24 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent CaSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.39 Å.
DOI: 10.17188/1274035
title: Materials Data on Zr2Al3C4 by Materials Project

description: Zr2Al3C4 crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two aluminum molecules and two AlZrC2 sheets oriented in the (0, 0, 1) direction. In each AlZrC2 sheet, there are two inequivalent Zr+3.50+ sites. In the first Zr+3.50+ site, Zr+3.50+ is bonded to six C4- atoms to form ZrC6 octahedra that share corners with three equivalent AlC6 octahedra, edges with three equivalent AlC6 octahedra, and edges with six equivalent ZrC6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three shorter (2.33 Å) and three longer (2.37 Å) Zr–C bond lengths. In the second Zr+3.50+ site, Zr+3.50+ is bonded in a distorted T-shaped geometry to three equivalent C4- atoms. All Zr–C bond lengths are 2.25 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six C4- atoms to form AlC6 octahedra that share corners with three equivalent ZrC6 octahedra, corners with three equivalent CAl3C tetrahedra, edges with three equivalent ZrC6 octahedra, and edges with six equivalent AlC6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three shorter (2.13 Å) and three longer (2.34 Å) Al–C bond lengths. In the second Al3+ site, Al3+ is bonded in a trigonal non-coplanar geometry to three equivalent C4- atoms. All Al–C bond lengths are 2.09 Å. There are four inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Al3+ and one C4- atom to form CAl3C tetrahedra that share corners with three equivalent AlC6 octahedra and corners with six equivalent CAl3C tetrahedra. The corner-sharing octahedral tilt angles are 53°. The C–C bond length is 1.31 Å. In the second C4- site, C4- is bonded to three equivalent Zr+3.50+ and three equivalent Al3+ atoms to form CZr3Al3 octahedra that share corners with three equivalent CZr6 octahedra and edges with nine CZr3Al3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third C4- site, C4- is bonded to six Zr+3.50+ atoms to form a mixture of edge and corner-sharing CZr6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth C4- site, C4- is bonded in a rectangular see-saw-like geometry to three equivalent Al3+ and one C4- atom.
DOI: 10.17188/1274036
title: Materials Data on Ba(Si3N4)2 by Materials Project

description: Ba(Si3N4)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten N+2.25- atoms. There are a spread of Ba–N bond distances ranging from 2.82–3.26 Å. There are two inequivalent Si+2.67+ sites. In the first Si+2.67+ site, Si+2.67+ is bonded to four N+2.25- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.68–1.78 Å. In the second Si+2.67+ site, Si+2.67+ is bonded in a trigonal non-coplanar geometry to three N+2.25- atoms. All Si–N bond lengths are 1.76 Å. There are three inequivalent N+2.25- sites. In the first N+2.25- site, N+2.25- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and three Si+2.67+ atoms. In the second N+2.25- site, N+2.25- is bonded in a trigonal planar geometry to one Ba2+ and three Si+2.67+ atoms. In the third N+2.25- site, N+2.25- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Si+2.67+ atoms.
DOI: 10.17188/1274037
title: Materials Data on La10C4I15 by Materials Project

description: La10C4I15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to one C+3.75- and five I1- atoms to form distorted LaCI5 octahedra that share corners with two LaC2I5 pentagonal bipyramids, edges with two LaCI5 octahedra, and edges with two LaC2I5 pentagonal bipyramids. The La–C bond length is 2.36 Å. There are a spread of La–I bond distances ranging from 3.22–3.51 Å. In the second La3+ site, La3+ is bonded to two C+3.75- and five I1- atoms to form distorted LaC2I5 pentagonal bipyramids that share a cornercorner with one LaCI5 octahedra, corners with three LaC2I5 pentagonal bipyramids, edges with three LaCI5 octahedra, and a faceface with one LaC2I5 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 12°. There are one shorter (2.64 Å) and one longer (2.65 Å) La–C bond lengths. There are a spread of La–I bond distances ranging from 3.20–3.57 Å. In the third La3+ site, La3+ is bonded to two C+3.75- and five I1- atoms to form distorted LaC2I5 pentagonal bipyramids that share a cornercorner with one LaCI5 octahedra, corners with two equivalent LaC2I5 pentagonal bipyramids, edges with three LaCI5 octahedra, an edgeedge with one LaC2I5 pentagonal bipyramid, and a faceface with one LaC2I5 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 1°. Both La–C bond lengths are 2.67 Å. There are a spread of La–I bond distances ranging from 3.17–3.55 Å. In the fourth La3+ site, La3+ is bonded to one C+3.75- and five I1- atoms to form distorted LaCI5 octahedra that share edges with two LaCI5 octahedra and edges with four LaC2I5 pentagonal bipyramids. The La–C bond length is 2.36 Å. There are a spread of La–I bond distances ranging from 3.23–3.46 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to four C+3.75- and four I1- atoms. There are a spread of La–C bond distances ranging from 2.77–2.83 Å. There are a spread of La–I bond distances ranging from 3.32–3.47 Å. There are two inequivalent C+3.75- sites. In the first C+3.75- site, C+3.75- is bonded in a 6-coordinate geometry to five La3+ and one C+3.75- atom. The C–C bond length is 1.41 Å. In the second C+3.75- site, C+3.75- is bonded in a 6-coordinate geometry to five La3+ and one C+3.75- atom. There are eight inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to four La3+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to three La3+ atoms. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the sixth I1- site, I1- is bonded in a distorted T-shaped geometry to three La3+ atoms. In the seventh I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the eighth I1- site, I1- is bonded in a 4-coordinate geometry to four La3+ atoms.
DOI: 10.17188/1274038
title: Materials Data on Cs2AgAuCl6 by Materials Project

description: Cs2AuAgCl6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded to twelve Cl1- atoms to form distorted CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent AgCl6 octahedra. There are four shorter (3.76 Å) and eight longer (3.90 Å) Cs–Cl bond lengths. Au3+ is bonded in a distorted square co-planar geometry to four equivalent Cl1- atoms. All Au–Cl bond lengths are 2.36 Å. Ag1+ is bonded to six Cl1- atoms to form AgCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. There are two shorter (2.40 Å) and four longer (2.91 Å) Ag–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Ag1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Au3+, and one Ag1+ atom.
DOI: 10.17188/1274039
title: Materials Data on La9Sb16Br3 by Materials Project

description: La9Sb16Br3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.50- atoms. There are a spread of La–Sb bond distances ranging from 3.29–3.44 Å. In the second La3+ site, La3+ is bonded in a 3-coordinate geometry to six Sb+1.50- and three equivalent Br1- atoms. There are a spread of La–Sb bond distances ranging from 3.40–3.54 Å. There are two shorter (3.03 Å) and one longer (3.14 Å) La–Br bond lengths. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.50- atoms. There are a spread of La–Sb bond distances ranging from 3.32–3.47 Å. There are six inequivalent Sb+1.50- sites. In the first Sb+1.50- site, Sb+1.50- is bonded to six equivalent La3+ atoms to form distorted face-sharing SbLa6 pentagonal pyramids. In the second Sb+1.50- site, Sb+1.50- is bonded in a 7-coordinate geometry to five La3+ and two equivalent Sb+1.50- atoms. Both Sb–Sb bond lengths are 3.07 Å. In the third Sb+1.50- site, Sb+1.50- is bonded in a 7-coordinate geometry to five La3+ and two equivalent Sb+1.50- atoms. Both Sb–Sb bond lengths are 3.14 Å. In the fourth Sb+1.50- site, Sb+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.50- atoms. Both Sb–Sb bond lengths are 3.12 Å. In the fifth Sb+1.50- site, Sb+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.50- atoms. Both Sb–Sb bond lengths are 3.16 Å. In the sixth Sb+1.50- site, Sb+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.50- atoms. Br1- is bonded in a trigonal non-coplanar geometry to three equivalent La3+ atoms.
DOI: 10.17188/1274040
title: Materials Data on RbSn2Br5 by Materials Project

description: RbSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are eight shorter (3.68 Å) and two longer (3.82 Å) Rb–Br bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (2.78 Å) and two longer (3.14 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to two equivalent Rb1+ and four equivalent Sn2+ atoms to form distorted corner-sharing BrRb2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. In the second Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb1+ and one Sn2+ atom.
DOI: 10.17188/1274041
title: Materials Data on Cs3Zr7BCl20 by Materials Project

description: Cs3Zr7Cl20B crystallizes in the trigonal R-3c space group. The structure is three-dimensional and consists of six boron molecules and one Cs3Zr7Cl20 framework. In the Cs3Zr7Cl20 framework, Cs1+ is bonded to twelve Cl1- atoms to form distorted CsCl12 cuboctahedra that share corners with four equivalent CsCl12 cuboctahedra, corners with six equivalent ZrCl5 square pyramids, edges with four equivalent CsCl12 cuboctahedra, edges with two equivalent ZrCl5 square pyramids, edges with two equivalent ZrCl5 trigonal bipyramids, and faces with two equivalent ZrCl5 square pyramids. There are a spread of Cs–Cl bond distances ranging from 3.62–4.07 Å. There are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to five Cl1- atoms to form ZrCl5 square pyramids that share corners with three equivalent CsCl12 cuboctahedra, corners with five equivalent ZrCl5 square pyramids, an edgeedge with one CsCl12 cuboctahedra, and a faceface with one CsCl12 cuboctahedra. There are a spread of Zr–Cl bond distances ranging from 2.56–2.81 Å. In the second Zr2+ site, Zr2+ is bonded to five Cl1- atoms to form ZrCl5 trigonal bipyramids that share edges with six equivalent CsCl12 cuboctahedra. There are three shorter (2.39 Å) and two longer (2.47 Å) Zr–Cl bond lengths. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent Zr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Cs1+ and two equivalent Zr2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Zr2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent Zr2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Zr2+ atom.
DOI: 10.17188/1274042
title: Materials Data on LiInAg2 (SG:225) 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: 10.17188/1274043
title: Materials Data on Sr14MnSb11 by Materials Project

description: Sr14MnSb11 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five Sb+2.73- atoms. There are a spread of Sr–Sb bond distances ranging from 3.35–3.56 Å. In the second Sr2+ site, Sr2+ is bonded to six Sb+2.73- atoms to form SrSb6 octahedra that share corners with four SrSb6 octahedra, corners with two equivalent MnSb4 tetrahedra, edges with two equivalent SrSb6 octahedra, and faces with two SrSb6 octahedra. The corner-sharing octahedra tilt angles range from 38–55°. There are a spread of Sr–Sb bond distances ranging from 3.38–3.47 Å. In the third Sr2+ site, Sr2+ is bonded to six Sb+2.73- atoms to form SrSb6 octahedra that share corners with eight SrSb6 octahedra, corners with two equivalent MnSb4 tetrahedra, and faces with two equivalent SrSb6 octahedra. The corner-sharing octahedra tilt angles range from 39–55°. There are a spread of Sr–Sb bond distances ranging from 3.31–3.58 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six Sb+2.73- atoms. There are a spread of Sr–Sb bond distances ranging from 3.32–3.89 Å. Mn2+ is bonded to four equivalent Sb+2.73- atoms to form MnSb4 tetrahedra that share corners with twelve SrSb6 octahedra. The corner-sharing octahedra tilt angles range from 40–48°. All Mn–Sb bond lengths are 2.79 Å. There are four inequivalent Sb+2.73- sites. In the first Sb+2.73- site, Sb+2.73- is bonded in a 10-coordinate geometry to eight Sr2+ and two equivalent Sb+2.73- atoms. Both Sb–Sb bond lengths are 3.31 Å. In the second Sb+2.73- site, Sb+2.73- is bonded in a 7-coordinate geometry to seven Sr2+ atoms. In the third Sb+2.73- site, Sb+2.73- is bonded in a 7-coordinate geometry to seven Sr2+ and one Mn2+ atom. In the fourth Sb+2.73- site, Sb+2.73- is bonded in a 9-coordinate geometry to eight Sr2+ and one Sb+2.73- atom.
DOI: 10.17188/1274044
title: Materials Data on InI3 by Materials Project

description: InI3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two InI3 clusters. In3+ is bonded to four I1- atoms to form edge-sharing InI4 tetrahedra. There are two shorter (2.69 Å) and two longer (2.89 Å) In–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent In3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one In3+ atom.
DOI: 10.17188/1274045
title: Materials Data on ZnH16C4(Br2N)2 by Materials Project

description: ZnBr4((CH3)2NH2)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight dimethylazanium molecules and four ZnBr4 clusters. In each ZnBr4 cluster, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.42–2.48 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom.