cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1314158
title: Materials Data on K3Sn by Materials Project

description: K3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing KK4Sn4 tetrahedra. All K–K bond lengths are 3.85 Å. All K–Sn bond lengths are 3.85 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent K atoms.
DOI: 10.17188/1314159
title: Materials Data on LuSb3 by Materials Project

description: LuSb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu3+ is bonded to twelve equivalent Sb1- atoms to form a mixture of corner and face-sharing LuSb12 cuboctahedra. There are six shorter (3.27 Å) and six longer (3.40 Å) Lu–Sb bond lengths. Sb1- is bonded in a 4-coordinate geometry to four equivalent Lu3+ atoms.
DOI: 10.17188/1314160
title: Materials Data on K3Sr by Materials Project

description: K3Sr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a body-centered cubic geometry to four equivalent K and four equivalent Sr atoms. All K–K bond lengths are 4.47 Å. All K–Sr bond lengths are 4.47 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Sr is bonded in a body-centered cubic geometry to eight equivalent K atoms.
DOI: 10.17188/1314161
title: Materials Data on GeBi3 by Materials Project

description: GeBi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ge is bonded in a body-centered cubic geometry to eight equivalent Bi atoms. All Ge–Bi bond lengths are 3.35 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a body-centered cubic geometry to four equivalent Ge and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.35 Å. In the second Bi site, Bi is bonded in a body-centered cubic geometry to eight equivalent Bi atoms.
DOI: 10.17188/1314162
title: Materials Data on Lu2AlTc by Materials Project

description: Lu2TcAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Al atoms. All Lu–Tc bond lengths are 2.98 Å. All Lu–Al bond lengths are 2.98 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1314163
title: Materials Data on Hg3Au by Materials Project

description: AuHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two AuHg3 sheets oriented in the (0, 0, 1) direction. Au is bonded in a hexagonal planar geometry to six equivalent Hg atoms. All Au–Hg bond lengths are 2.97 Å. Hg is bonded in a distorted hexagonal planar geometry to two equivalent Au and four equivalent Hg atoms. There are two shorter (2.96 Å) and two longer (2.99 Å) Hg–Hg bond lengths.
DOI: 10.17188/1314164
title: Materials Data on K3Sr by Materials Project

description: K3Sr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Sr atoms to form KK8Sr4 cuboctahedra that share corners with twelve equivalent KK8Sr4 cuboctahedra, edges with eight equivalent SrK12 cuboctahedra, edges with sixteen KK8Sr4 cuboctahedra, faces with four equivalent SrK12 cuboctahedra, and faces with fourteen KK8Sr4 cuboctahedra. There are four shorter (4.49 Å) and four longer (4.67 Å) K–K bond lengths. All K–Sr bond lengths are 4.67 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Sr atoms to form distorted KK8Sr4 cuboctahedra that share corners with four equivalent KK8Sr4 cuboctahedra, corners with eight equivalent SrK12 cuboctahedra, edges with twenty-four KK8Sr4 cuboctahedra, faces with six equivalent SrK12 cuboctahedra, and faces with twelve KK8Sr4 cuboctahedra. All K–Sr bond lengths are 4.49 Å. Sr is bonded to twelve K atoms to form SrK12 cuboctahedra that share corners with four equivalent SrK12 cuboctahedra, corners with eight equivalent KK8Sr4 cuboctahedra, edges with eight equivalent SrK12 cuboctahedra, edges with sixteen equivalent KK8Sr4 cuboctahedra, faces with four equivalent SrK12 cuboctahedra, and faces with fourteen KK8Sr4 cuboctahedra.
DOI: 10.17188/1314165
title: Materials Data on LuAlPd by Materials Project

description: LuPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five Pd and six equivalent Al atoms. There are one shorter (2.91 Å) and four longer (2.92 Å) Lu–Pd bond lengths. There are two shorter (3.16 Å) and four longer (3.23 Å) Lu–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Al atoms. All Pd–Al bond lengths are 2.63 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Al atoms. All Pd–Al bond lengths are 2.73 Å. Al is bonded in a 4-coordinate geometry to six equivalent Lu and four Pd atoms.
DOI: 10.17188/1314166
title: Materials Data on Lu2AlRu by Materials Project

description: Lu2RuAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Al atoms. All Lu–Ru bond lengths are 2.97 Å. All Lu–Al bond lengths are 2.97 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1314167
title: Materials Data on LuSi2Ni by Materials Project

description: LuNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to four equivalent Ni and ten Si atoms. All Lu–Ni bond lengths are 2.99 Å. There are a spread of Lu–Si bond distances ranging from 2.96–3.09 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Lu and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.23–2.32 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Lu, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.34 Å. In the second Si site, Si is bonded in a 12-coordinate geometry to four equivalent Lu, four equivalent Ni, and four equivalent Si atoms. All Si–Si bond lengths are 2.76 Å.
DOI: 10.17188/1314168
title: Materials Data on Ho(AlC)3 by Materials Project

description: Ho(AlC)3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent C4- atoms to form HoC6 octahedra that share corners with six equivalent AlC4 tetrahedra, edges with six equivalent HoC6 octahedra, and edges with six equivalent AlC4 tetrahedra. All Ho–C bond lengths are 2.54 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four C4- atoms to form AlC4 tetrahedra that share corners with three equivalent HoC6 octahedra, corners with seven equivalent AlC4 tetrahedra, and edges with three equivalent HoC6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are one shorter (2.02 Å) and three longer (2.10 Å) Al–C bond lengths. In the second Al3+ site, Al3+ is bonded in a trigonal planar geometry to three equivalent C4- atoms. All Al–C bond lengths are 1.98 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 6-coordinate geometry to three equivalent Ho3+ and three equivalent Al3+ atoms. In the second C4- site, C4- is bonded to five Al3+ atoms to form corner-sharing CAl5 trigonal bipyramids.
DOI: 10.17188/1314169
title: Materials Data on Lu2ZnIn by Materials Project

description: Lu2ZnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent In atoms. All Lu–Zn bond lengths are 3.12 Å. All Lu–In bond lengths are 3.12 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. In is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1314170
title: Materials Data on Lu2ZnGa by Materials Project

description: Lu2ZnGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ga atoms. All Lu–Zn bond lengths are 3.03 Å. All Lu–Ga bond lengths are 3.03 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1314171
title: Materials Data on Lu2ZnHg by Materials Project

description: Lu2HgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Zn atoms. All Lu–Hg bond lengths are 3.10 Å. All Lu–Zn bond lengths are 3.10 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1314172
title: Materials Data on FeRhO3 by Materials Project

description: FeRhO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent RhO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.88 Å) and two longer (1.89 Å) Fe–O bond length. Rh3+ is bonded to twelve O2- atoms to form RhO12 cuboctahedra that share corners with twelve equivalent RhO12 cuboctahedra, faces with six equivalent RhO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are four shorter (2.66 Å) and eight longer (2.67 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and four equivalent Rh3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and four equivalent Rh3+ atoms.
DOI: 10.17188/1314173
title: Materials Data on LuRu3 by Materials Project

description: LuRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ru atoms to form a mixture of corner and face-sharing LuRu12 cuboctahedra. All Lu–Ru bond lengths are 2.84 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Lu atoms.
DOI: 10.17188/1314174
title: Materials Data on Lu2ZnAg by Materials Project

description: Lu2AgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Zn atoms. All Lu–Ag bond lengths are 3.06 Å. All Lu–Zn bond lengths are 3.06 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1314180
title: Materials Data on LuSiO3 by Materials Project

description: LuSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent O atoms to form LuO12 cuboctahedra that share corners with twelve equivalent LuO12 cuboctahedra, faces with six equivalent LuO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Lu–O bond lengths are 2.60 Å. Si is bonded to six equivalent O atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent LuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.84 Å. O is bonded in a distorted linear geometry to four equivalent Lu and two equivalent Si atoms.
DOI: 10.17188/1314181
title: Materials Data on Lu2ZnCu by Materials Project

description: Lu2CuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Zn atoms. All Lu–Cu bond lengths are 2.99 Å. All Lu–Zn bond lengths are 2.99 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1314182
title: Materials Data on KV5Se8 by Materials Project

description: KV5Se8 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a distorted q6 geometry to ten Se2- atoms. There are a spread of K–Se bond distances ranging from 3.47–3.57 Å. There are three inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing VSe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.56 Å) and four longer (2.57 Å) V–Se bond lengths. In the second V3+ site, V3+ is bonded to six Se2- atoms to form a mixture of corner, edge, and face-sharing VSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of V–Se bond distances ranging from 2.46–2.69 Å. In the third V3+ site, V3+ is bonded to six Se2- atoms to form a mixture of corner, edge, and face-sharing VSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of V–Se bond distances ranging from 2.44–2.71 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one K1+ and four V3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three V3+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent K1+ and three equivalent V3+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five V3+ atoms.
DOI: 10.17188/1314183
title: Materials Data on LuSi3 by Materials Project

description: LuSi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Si atoms to form a mixture of corner and face-sharing LuSi12 cuboctahedra. All Lu–Si bond lengths are 2.89 Å. Si is bonded in a distorted square co-planar geometry to four equivalent Lu atoms.
DOI: 10.17188/1314184
title: Materials Data on HgN by Materials Project

description: HgN is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent N2- atoms to form corner-sharing HgN4 tetrahedra. There are one shorter (2.20 Å) and three longer (2.27 Å) Hg–N bond lengths. N2- is bonded to four equivalent Hg2+ atoms to form corner-sharing NHg4 tetrahedra.
DOI: 10.17188/1314185
title: Materials Data on Hf9AsW4 by Materials Project

description: Hf9W4As crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 2-coordinate geometry to four W and one As atom. There are a spread of Hf–W bond distances ranging from 2.88–3.11 Å. The Hf–As bond length is 2.74 Å. In the second Hf site, Hf is bonded in a distorted T-shaped geometry to two equivalent W and one As atom. Both Hf–W bond lengths are 2.92 Å. The Hf–As bond length is 3.12 Å. There are two inequivalent W sites. In the first W site, W is bonded to six equivalent Hf and six equivalent W atoms to form face-sharing WHf6W6 cuboctahedra. All W–W bond lengths are 2.74 Å. In the second W site, W is bonded in a 12-coordinate geometry to eight Hf and four W atoms. Both W–W bond lengths are 2.87 Å. As is bonded in a 9-coordinate geometry to nine Hf atoms.
DOI: 10.17188/1314186
title: Materials Data on HgS by Materials Project

description: HgS is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form corner-sharing HgS4 tetrahedra. There are three shorter (2.60 Å) and one longer (2.61 Å) Hg–S bond lengths. S2- is bonded to four equivalent Hg2+ atoms to form corner-sharing SHg4 tetrahedra.
DOI: 10.17188/1314187
title: Materials Data on LuRhO3 by Materials Project

description: LuRhO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu3+ is bonded to twelve equivalent O2- atoms to form LuO12 cuboctahedra that share corners with twelve equivalent LuO12 cuboctahedra, faces with six equivalent LuO12 cuboctahedra, and faces with eight equivalent RhO6 octahedra. All Lu–O bond lengths are 2.77 Å. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent RhO6 octahedra and faces with eight equivalent LuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Lu3+ and two equivalent Rh3+ atoms.
DOI: 10.17188/1314188
title: Materials Data on Fe3B by Materials Project

description: Fe3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to three equivalent B atoms. There are two shorter (2.13 Å) and one longer (2.49 Å) Fe–B bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three equivalent B atoms. There are a spread of Fe–B bond distances ranging from 2.07–2.28 Å. B is bonded in a 9-coordinate geometry to nine Fe atoms.
DOI: 10.17188/1314189
title: Materials Data on LuMg3 by Materials Project

description: Mg3Lu is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Lu atoms to form MgLu4Mg8 cuboctahedra that share corners with four equivalent LuMg12 cuboctahedra, corners with fourteen MgLu4Mg8 cuboctahedra, edges with six equivalent LuMg12 cuboctahedra, edges with twelve MgLu4Mg8 cuboctahedra, faces with four equivalent LuMg12 cuboctahedra, and faces with sixteen MgLu4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.35 Å. There are two shorter (3.23 Å) and two longer (3.30 Å) Mg–Lu bond lengths. In the second Mg site, Mg is bonded to eight equivalent Mg and four equivalent Lu atoms to form MgLu4Mg8 cuboctahedra that share corners with four equivalent LuMg12 cuboctahedra, corners with fourteen MgLu4Mg8 cuboctahedra, edges with six equivalent LuMg12 cuboctahedra, edges with twelve equivalent MgLu4Mg8 cuboctahedra, faces with four equivalent LuMg12 cuboctahedra, and faces with sixteen MgLu4Mg8 cuboctahedra. There are two shorter (3.23 Å) and two longer (3.30 Å) Mg–Lu bond lengths. Lu is bonded to twelve Mg atoms to form LuMg12 cuboctahedra that share corners with six equivalent LuMg12 cuboctahedra, corners with twelve MgLu4Mg8 cuboctahedra, edges with eighteen MgLu4Mg8 cuboctahedra, faces with eight equivalent LuMg12 cuboctahedra, and faces with twelve MgLu4Mg8 cuboctahedra.
DOI: 10.17188/1314190
title: Materials Data on NdHo3 by Materials Project

description: Ho3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with four equivalent NdHo12 cuboctahedra, corners with fourteen HoNd4Ho8 cuboctahedra, edges with six equivalent NdHo12 cuboctahedra, edges with twelve HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with sixteen HoNd4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.53–3.66 Å. There are two shorter (3.55 Å) and two longer (3.63 Å) Ho–Nd bond lengths. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with four equivalent NdHo12 cuboctahedra, corners with fourteen HoNd4Ho8 cuboctahedra, edges with six equivalent NdHo12 cuboctahedra, edges with twelve equivalent HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with sixteen HoNd4Ho8 cuboctahedra. There are two shorter (3.55 Å) and two longer (3.63 Å) Ho–Nd bond lengths. Nd is bonded to twelve Ho atoms to form NdHo12 cuboctahedra that share corners with six equivalent NdHo12 cuboctahedra, corners with twelve HoNd4Ho8 cuboctahedra, edges with eighteen HoNd4Ho8 cuboctahedra, faces with eight equivalent NdHo12 cuboctahedra, and faces with twelve HoNd4Ho8 cuboctahedra.
DOI: 10.17188/1314191
title: Materials Data on Ho3Lu by Materials Project

description: LuHo3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ho atoms to form LuHo12 cuboctahedra that share corners with six equivalent LuHo12 cuboctahedra, corners with twelve equivalent HoHo8Lu4 cuboctahedra, edges with eighteen equivalent HoHo8Lu4 cuboctahedra, faces with eight equivalent LuHo12 cuboctahedra, and faces with twelve equivalent HoHo8Lu4 cuboctahedra. There are six shorter (3.46 Å) and six longer (3.58 Å) Lu–Ho bond lengths. Ho is bonded to four equivalent Lu and eight equivalent Ho atoms to form HoHo8Lu4 cuboctahedra that share corners with four equivalent LuHo12 cuboctahedra, corners with fourteen equivalent HoHo8Lu4 cuboctahedra, edges with six equivalent LuHo12 cuboctahedra, edges with twelve equivalent HoHo8Lu4 cuboctahedra, faces with four equivalent LuHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Lu4 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.47–3.59 Å.
DOI: 10.17188/1314192
title: Materials Data on H8PdC2NCl3 by Materials Project

description: PdCl3(CH3)2NH2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four dimethylazanium molecules and two PdCl3 ribbons oriented in the (0, 0, 1) direction. In each PdCl3 ribbon, Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Pd–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pd2+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Pd2+ atoms.