cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1291311
title: Materials Data on Li5CuHO4 by Materials Project

description: Li5CuHO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO5 square pyramid, corners with two LiO4 tetrahedra, an edgeedge with one LiO5 square pyramid, and edges with two equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.00–2.03 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to one H1+ and four O2- atoms. The Li–H bond length is 2.10 Å. There are a spread of Li–O bond distances ranging from 1.94–2.08 Å. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to two equivalent H1+ and three O2- atoms. Both Li–H bond lengths are 2.15 Å. There is one shorter (1.92 Å) and two longer (1.97 Å) Li–O bond length. In the fourth Li1+ site, Li1+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. There are a spread of Li–O bond distances ranging from 2.00–2.35 Å. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two LiO4 tetrahedra, edges with two equivalent LiO5 square pyramids, and edges with three LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.09 Å. In the sixth Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.02 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There is one shorter (1.84 Å) and two longer (1.89 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There is one shorter (1.83 Å) and two longer (1.90 Å) Cu–O bond length. H1+ is bonded in a single-bond geometry to two Li1+ and one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to five Li1+ and one Cu2+ atom to form a mixture of corner and edge-sharing OLi5Cu octahedra. The corner-sharing octahedra tilt angles range from 49–58°. In the second O2- site, O2- is bonded to five Li1+ and one Cu2+ atom to form a mixture of corner and edge-sharing OLi5Cu octahedra. The corner-sharing octahedra tilt angles range from 49–58°. In the third O2- site, O2- is bonded to five Li1+ and one Cu2+ atom to form a mixture of corner and edge-sharing OLi5Cu octahedra. The corner-sharing octahedra tilt angles range from 53–56°. In the fourth O2- site, O2- is bonded to five Li1+ and one Cu2+ atom to form a mixture of distorted corner and edge-sharing OLi5Cu pentagonal pyramids. The corner-sharing octahedra tilt angles range from 48–56°. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four Li1+ and one H1+ atom.
DOI: 10.17188/1291312
title: Materials Data on Cs2H6CO6 by Materials Project

description: Cs2CH6O6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to two H1+ and six O2- atoms. There are one shorter (3.02 Å) and one longer (3.16 Å) Cs–H bond lengths. There are a spread of Cs–O bond distances ranging from 3.05–3.38 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.28 Å) and two longer (1.32 Å) C–O bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Cs1+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Cs1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one C4+ atom.
DOI: 10.17188/1291313
title: Materials Data on P2H12BrN7 by Materials Project

description: P2N7H12Br is alpha Niobium phosphide structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrobromic acid molecules and two P2N7H12 clusters. In each P2N7H12 cluster, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.67 Å. In the second P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.61–1.65 Å. There are seven inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one P5+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N3- site, N3- is bonded in a trigonal planar geometry to one P5+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the third N3- site, N3- is bonded in a trigonal planar geometry to one P5+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the fourth N3- site, N3- is bonded in a distorted trigonal planar geometry to one P5+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fifth N3- site, N3- is bonded in a trigonal planar geometry to one P5+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the sixth N3- site, N3- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the seventh N3- site, N3- is bonded in a distorted trigonal planar geometry to one P5+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1291314
title: Materials Data on LiCuPO4 by Materials Project

description: LiCuPO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent CuO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.98–2.11 Å. Cu2+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.92–2.04 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent CuO4 tetrahedra. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom.
DOI: 10.17188/1291315
title: Materials Data on As2HPbF13 by Materials Project

description: PbAs2HF13 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.55–2.99 Å. There are three inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.74–1.80 Å. In the second As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.81 Å. In the third As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.80 Å. H1+ is bonded in a single-bond geometry to one F1- atom. The H–F bond length is 0.95 Å. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one H1+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the eleventh F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the thirteenth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
DOI: 10.17188/1291316
title: Materials Data on LiBi(PO3)4 by Materials Project

description: LiBi(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a water-like geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.98 Å. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.63 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, one Bi3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Bi3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Bi3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms.
DOI: 10.17188/1291319
title: Materials Data on BPH9C2 by Materials Project

description: BC2PH9 is gamma nitrogen structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four BC2PH9 clusters. B3- is bonded to one P5+ and three H+0.56+ atoms to form distorted BPH3 tetrahedra that share corners with two CPH3 tetrahedra. The B–P bond length is 1.92 Å. All B–H bond lengths are 1.22 Å. There are two inequivalent C+3.50- sites. In the first C+3.50- site, C+3.50- is bonded to one P5+ and three H+0.56+ atoms to form distorted CPH3 tetrahedra that share a cornercorner with one BPH3 tetrahedra and a cornercorner with one CPH3 tetrahedra. The C–P bond length is 1.82 Å. All C–H bond lengths are 1.10 Å. In the second C+3.50- site, C+3.50- is bonded to one P5+ and three H+0.56+ atoms to form distorted CPH3 tetrahedra that share a cornercorner with one BPH3 tetrahedra and a cornercorner with one CPH3 tetrahedra. The C–P bond length is 1.82 Å. All C–H bond lengths are 1.10 Å. P5+ is bonded in a trigonal non-coplanar geometry to one B3- and two C+3.50- atoms. There are nine inequivalent H+0.56+ sites. In the first H+0.56+ site, H+0.56+ is bonded in a single-bond geometry to one C+3.50- atom. In the second H+0.56+ site, H+0.56+ is bonded in a single-bond geometry to one C+3.50- atom. In the third H+0.56+ site, H+0.56+ is bonded in a single-bond geometry to one B3- atom. In the fourth H+0.56+ site, H+0.56+ is bonded in a single-bond geometry to one B3- atom. In the fifth H+0.56+ site, H+0.56+ is bonded in a single-bond geometry to one C+3.50- atom. In the sixth H+0.56+ site, H+0.56+ is bonded in a single-bond geometry to one C+3.50- atom. In the seventh H+0.56+ site, H+0.56+ is bonded in a single-bond geometry to one B3- atom. In the eighth H+0.56+ site, H+0.56+ is bonded in a single-bond geometry to one C+3.50- atom. In the ninth H+0.56+ site, H+0.56+ is bonded in a single-bond geometry to one C+3.50- atom.
DOI: 10.17188/1291321
title: Materials Data on Na5CuHO4 by Materials Project

description: Na5CuHO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.44 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share a cornercorner with one NaO5 square pyramid, a cornercorner with one NaO4 tetrahedra, a cornercorner with one NaO4 trigonal pyramid, and an edgeedge with one NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.35–2.37 Å. In the third Na1+ site, Na1+ is bonded in a 3-coordinate geometry to two equivalent H1+ and five O2- atoms. Both Na–H bond lengths are 2.46 Å. There are a spread of Na–O bond distances ranging from 2.36–2.63 Å. In the fourth Na1+ site, Na1+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.31–2.55 Å. In the fifth Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 trigonal pyramids that share a cornercorner with one NaO4 tetrahedra, a cornercorner with one NaO4 trigonal pyramid, edges with two equivalent NaO5 square pyramids, and an edgeedge with one NaO4 trigonal pyramid. There are a spread of Na–O bond distances ranging from 2.29–2.40 Å. In the sixth Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.31 Å) and two longer (2.37 Å) Na–O bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.92 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.91 Å) Cu–O bond length. H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.97 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Cu2+ atom to form a mixture of corner and edge-sharing ONa5Cu octahedra. The corner-sharing octahedra tilt angles range from 52–60°. In the second O2- site, O2- is bonded to five Na1+ and one Cu2+ atom to form a mixture of distorted corner and edge-sharing ONa5Cu octahedra. The corner-sharing octahedra tilt angles range from 52–61°. In the third O2- site, O2- is bonded to five Na1+ and one Cu2+ atom to form a mixture of distorted corner and edge-sharing ONa5Cu octahedra. The corner-sharing octahedra tilt angles range from 55–61°. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Cu2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to five Na1+ and one H1+ atom.
DOI: 10.17188/1291322
title: Materials Data on P2HNF4 by Materials Project

description: P2NHF4 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four imidodiphosphorous tetrafluoride molecules. there are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two F1- atoms. The P–N bond length is 1.69 Å. Both P–F bond lengths are 1.62 Å. In the second P4+ site, P4+ is bonded in a distorted T-shaped geometry to one N3- and two F1- atoms. The P–N bond length is 1.70 Å. Both P–F bond lengths are 1.62 Å. N3- is bonded in a distorted trigonal planar geometry to two P4+ and one H1- atom. The N–H bond length is 1.03 Å. H1- is bonded in a single-bond geometry to one N3- atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P4+ atom.
DOI: 10.17188/1291323
title: Materials Data on LiCuPO4 by Materials Project

description: LiCuPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to eight O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.88 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.10–2.39 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to five O2- atoms to form CuO5 trigonal bipyramids that share corners with five PO4 tetrahedra and a cornercorner with one CuO5 trigonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.90–2.26 Å. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form distorted CuO5 trigonal bipyramids that share corners with five PO4 tetrahedra, a cornercorner with one CuO5 trigonal bipyramid, and an edgeedge with one CuO5 trigonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.93–2.17 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six CuO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four CuO5 trigonal bipyramids. There is two shorter (1.56 Å) and two longer (1.57 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Cu2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Li1+, one Cu2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Cu2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Cu2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, two Cu2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+, one Cu2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+, one Cu2+, and one P5+ atom.
DOI: 10.17188/1291325
title: Materials Data on LiCuCO3 by Materials Project

description: LiCuCO3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form distorted LiO5 trigonal bipyramids that share corners with six equivalent CuO4 tetrahedra and edges with two equivalent LiO5 trigonal bipyramids. There are a spread of Li–O bond distances ranging from 2.02–2.14 Å. Cu1+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with two equivalent CuO4 tetrahedra and corners with six equivalent LiO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 2.03–2.21 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Cu1+, and one C4+ atom to form distorted corner-sharing OLi2CuC tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Cu1+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Cu1+, and one C4+ atom.
DOI: 10.17188/1291326
title: Materials Data on La2Sb by Materials Project

description: La2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to five equivalent Sb atoms to form a mixture of distorted corner and edge-sharing LaSb5 trigonal bipyramids. There are one shorter (3.36 Å) and four longer (3.38 Å) La–Sb bond lengths. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Sb atoms. All La–Sb bond lengths are 3.42 Å. Sb is bonded in a 9-coordinate geometry to nine La atoms.
DOI: 10.17188/1291327
title: Materials Data on GeP by Materials Project

description: GeP is Halite, Rock Salt structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ge3+ is bonded to five equivalent P3- atoms to form a mixture of corner and edge-sharing GeP5 square pyramids. There are one shorter (2.41 Å) and four longer (2.56 Å) Ge–P bond lengths. P3- is bonded to five equivalent Ge3+ atoms to form a mixture of corner and edge-sharing PGe5 square pyramids.