cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1204666
title: Materials Data on HfGa2Ni by Materials Project

description: HfNiGa2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are four inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to four equivalent Ni and eight Ga atoms. All Hf–Ni bond lengths are 2.67 Å. There are four shorter (2.92 Å) and four longer (3.04 Å) Hf–Ga bond lengths. In the second Hf site, Hf is bonded in a 12-coordinate geometry to four equivalent Ni and eight Ga atoms. All Hf–Ni bond lengths are 2.92 Å. There are four shorter (2.92 Å) and four longer (2.94 Å) Hf–Ga bond lengths. In the third Hf site, Hf is bonded in a 12-coordinate geometry to four Ni and ten Ga atoms. There are a spread of Hf–Ni bond distances ranging from 2.68–2.83 Å. There are a spread of Hf–Ga bond distances ranging from 2.84–3.34 Å. In the fourth Hf site, Hf is bonded in a 12-coordinate geometry to four Ni and nine Ga atoms. There are a spread of Hf–Ni bond distances ranging from 2.81–3.21 Å. There are a spread of Hf–Ga bond distances ranging from 2.81–3.12 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to four Hf and six Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.44–2.61 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to five Hf and five Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.59 Å. In the third Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Hf and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.53 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to five Hf, three Ni, and three Ga atoms. There are two shorter (2.77 Å) and one longer (3.00 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to four Hf, three Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.89 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to six Hf, three Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.81 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four Hf, three Ni, and three Ga atoms.
DOI: 10.17188/1204667
title: Materials Data on U2Al19Co6 by Materials Project

description: U2Co6Al19 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to two Co and thirteen Al atoms. There are one shorter (3.29 Å) and one longer (3.41 Å) U–Co bond lengths. There are a spread of U–Al bond distances ranging from 3.04–3.25 Å. In the second U site, U is bonded in a 10-coordinate geometry to two Co and thirteen Al atoms. There are one shorter (3.26 Å) and one longer (3.43 Å) U–Co bond lengths. There are a spread of U–Al bond distances ranging from 3.02–3.39 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted body-centered cubic geometry to two U and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.42–2.49 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.32–2.62 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.68 Å. In the fourth Co site, Co is bonded in a 8-coordinate geometry to two U and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.43–2.52 Å. There are eleven inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. The Al–Al bond length is 2.85 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to two U, three Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–2.85 Å. In the third Al site, Al is bonded in a 4-coordinate geometry to one U, four Co, and two Al atoms. The Al–Al bond length is 2.64 Å. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two U, three Co, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.95 Å. In the fifth Al site, Al is bonded in a distorted linear geometry to two U, two Co, and four Al atoms. In the sixth Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. In the seventh Al site, Al is bonded in a distorted bent 150 degrees geometry to one U and two equivalent Co atoms. In the eighth Al site, Al is bonded in a distorted bent 150 degrees geometry to one U and two equivalent Co atoms. In the ninth Al site, Al is bonded in a 2-coordinate geometry to two U, two Co, and two equivalent Al atoms. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two U, two Co, and one Al atom. In the eleventh Al site, Al is bonded in a 4-coordinate geometry to one U, four Co, and two Al atoms.
DOI: 10.17188/1204668
title: Materials Data on AcClO by Materials Project

description: AcOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ac3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Ac–O bond lengths are 2.48 Å. There are one shorter (3.27 Å) and four longer (3.32 Å) Ac–Cl bond lengths. O2- is bonded to four equivalent Ac3+ atoms to form a mixture of corner and edge-sharing OAc4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Ac3+ atoms.
DOI: 10.17188/1204669
title: Materials Data on AcBrO by Materials Project

description: AcOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ac3+ is bonded in a 4-coordinate geometry to four equivalent O2- and five equivalent Br1- atoms. All Ac–O bond lengths are 2.49 Å. There are four shorter (3.42 Å) and one longer (3.65 Å) Ac–Br bond lengths. O2- is bonded to four equivalent Ac3+ atoms to form a mixture of edge and corner-sharing OAc4 tetrahedra. Br1- is bonded in a 5-coordinate geometry to five equivalent Ac3+ atoms.
DOI: 10.17188/1204670
title: Materials Data on BaP8 by Materials Project

description: BaP8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven P+0.25- atoms. There are a spread of Ba–P bond distances ranging from 3.27–3.60 Å. There are eight inequivalent P+0.25- sites. In the first P+0.25- site, P+0.25- is bonded to one Ba2+ and three P+0.25- atoms to form a mixture of edge and corner-sharing PBaP3 trigonal pyramids. There are one shorter (2.18 Å) and two longer (2.24 Å) P–P bond lengths. In the second P+0.25- site, P+0.25- is bonded to one Ba2+ and three P+0.25- atoms to form distorted corner-sharing PBaP3 trigonal pyramids. There are a spread of P–P bond distances ranging from 2.19–2.25 Å. In the third P+0.25- site, P+0.25- is bonded to one Ba2+ and three P+0.25- atoms to form corner-sharing PBaP3 tetrahedra. There are one shorter (2.19 Å) and one longer (2.30 Å) P–P bond lengths. In the fourth P+0.25- site, P+0.25- is bonded to one Ba2+ and three P+0.25- atoms to form corner-sharing PBaP3 tetrahedra. There are one shorter (2.23 Å) and one longer (2.29 Å) P–P bond lengths. In the fifth P+0.25- site, P+0.25- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two P+0.25- atoms. The P–P bond length is 2.22 Å. In the sixth P+0.25- site, P+0.25- is bonded in a rectangular see-saw-like geometry to one Ba2+ and three P+0.25- atoms. The P–P bond length is 2.24 Å. In the seventh P+0.25- site, P+0.25- is bonded to two equivalent Ba2+ and two P+0.25- atoms to form PBa2P2 tetrahedra that share corners with five PBaP3 tetrahedra, corners with eight PBaP3 trigonal pyramids, and an edgeedge with one PBa2P2 tetrahedra. In the eighth P+0.25- site, P+0.25- is bonded to one Ba2+ and three P+0.25- atoms to form a mixture of edge and corner-sharing PBaP3 trigonal pyramids.
DOI: 10.17188/1204704
title: Materials Data on Ce10Ga5Cl4 by Materials Project

description: Ce10Ga5Cl4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to five Ga and one Cl atom. There are one shorter (3.02 Å) and four longer (3.15 Å) Ce–Ga bond lengths. The Ce–Cl bond length is 3.02 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.14–3.24 Å. In the third Ce site, Ce is bonded in a 8-coordinate geometry to three equivalent Ga and five Cl atoms. There are one shorter (3.04 Å) and two longer (3.09 Å) Ce–Ga bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.91–3.25 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Ce atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Ce and one Ga atom. The Ga–Ga bond length is 2.71 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to five Ce atoms to form ClCe5 square pyramids that share corners with four equivalent ClCe6 pentagonal pyramids, corners with four equivalent ClCe5 square pyramids, and edges with four equivalent ClCe6 pentagonal pyramids. In the second Cl site, Cl is bonded to six equivalent Ce atoms to form distorted ClCe6 pentagonal pyramids that share corners with four equivalent ClCe5 square pyramids, edges with four equivalent ClCe6 pentagonal pyramids, edges with four equivalent ClCe5 square pyramids, and a faceface with one ClCe6 pentagonal pyramid.
DOI: 10.17188/1204705
title: Materials Data on Ce3Ga4Cl by Materials Project

description: Ce3Ga4Cl crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to eight equivalent Ga and two equivalent Cl atoms. There are a spread of Ce–Ga bond distances ranging from 3.11–3.41 Å. Both Ce–Cl bond lengths are 3.01 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to eight equivalent Ga and two equivalent Cl atoms. All Ce–Ga bond lengths are 3.14 Å. Both Ce–Cl bond lengths are 2.78 Å. Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Ga atoms. There are two shorter (2.62 Å) and one longer (2.71 Å) Ga–Ga bond lengths. Cl is bonded to six Ce atoms to form corner-sharing ClCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.
DOI: 10.17188/1204706
title: Materials Data on NpIO5 by Materials Project

description: NpO5I crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Np5+ is bonded to seven O2- atoms to form distorted corner-sharing NpO7 pentagonal bipyramids. There are a spread of Np–O bond distances ranging from 1.87–2.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Np5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Np5+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.
DOI: 10.17188/1204707
title: Materials Data on K4(TiTe3)3 by Materials Project

description: K4(TiTe3)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te+1.78- atoms. There are a spread of K–Te bond distances ranging from 3.49–4.03 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Te+1.78- atoms. There are a spread of K–Te bond distances ranging from 3.49–4.13 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te+1.78- atoms. There are a spread of K–Te bond distances ranging from 3.43–4.13 Å. In the fourth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Te+1.78- atoms. There are a spread of K–Te bond distances ranging from 3.45–4.26 Å. There are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six Te+1.78- atoms to form face-sharing TiTe6 octahedra. There are a spread of Ti–Te bond distances ranging from 2.75–2.82 Å. In the second Ti4+ site, Ti4+ is bonded to six Te+1.78- atoms to form face-sharing TiTe6 octahedra. There are a spread of Ti–Te bond distances ranging from 2.74–2.84 Å. In the third Ti4+ site, Ti4+ is bonded to six Te+1.78- atoms to form face-sharing TiTe6 octahedra. There are a spread of Ti–Te bond distances ranging from 2.76–2.84 Å. There are nine inequivalent Te+1.78- sites. In the first Te+1.78- site, Te+1.78- is bonded in a 6-coordinate geometry to four K1+ and two Ti4+ atoms. In the second Te+1.78- site, Te+1.78- is bonded in a 6-coordinate geometry to four K1+ and two Ti4+ atoms. In the third Te+1.78- site, Te+1.78- is bonded in a 6-coordinate geometry to four K1+ and two Ti4+ atoms. In the fourth Te+1.78- site, Te+1.78- is bonded in a 5-coordinate geometry to three K1+ and two Ti4+ atoms. In the fifth Te+1.78- site, Te+1.78- is bonded in a 6-coordinate geometry to four K1+ and two Ti4+ atoms. In the sixth Te+1.78- site, Te+1.78- is bonded in a 5-coordinate geometry to three K1+ and two Ti4+ atoms. In the seventh Te+1.78- site, Te+1.78- is bonded in a 3-coordinate geometry to four K1+ and two Ti4+ atoms. In the eighth Te+1.78- site, Te+1.78- is bonded in a 7-coordinate geometry to four K1+ and two Ti4+ atoms. In the ninth Te+1.78- site, Te+1.78- is bonded in a 6-coordinate geometry to four K1+ and two Ti4+ atoms.
DOI: 10.17188/1204708
title: Materials Data on La2I5 by Materials Project

description: La2I5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one La2I5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent La+2.50+ sites. In the first La+2.50+ site, La+2.50+ is bonded to seven I1- atoms to form a mixture of distorted edge and face-sharing LaI7 pentagonal bipyramids. There are a spread of La–I bond distances ranging from 3.26–3.42 Å. In the second La+2.50+ site, La+2.50+ is bonded to seven I1- atoms to form distorted edge-sharing LaI7 pentagonal bipyramids. There are a spread of La–I bond distances ranging from 3.21–3.45 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent La+2.50+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to three La+2.50+ atoms. In the fifth I1- site, I1- is bonded in a distorted T-shaped geometry to three La+2.50+ atoms.
DOI: 10.17188/1204709
title: Materials Data on Tb4SiBr6 by Materials Project

description: Tb4SiBr6 is trigonal omega-derived structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to one Si and five Br atoms to form a mixture of corner and edge-sharing TbSiBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. The Tb–Si bond length is 2.74 Å. There are four shorter (2.91 Å) and one longer (3.02 Å) Tb–Br bond lengths. In the second Tb site, Tb is bonded to two equivalent Si and four Br atoms to form a mixture of corner and edge-sharing TbSi2Br4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. Both Tb–Si bond lengths are 2.80 Å. There are two shorter (2.97 Å) and two longer (2.99 Å) Tb–Br bond lengths. Si is bonded to six Tb atoms to form edge-sharing SiTb6 octahedra. There are three inequivalent Br sites. In the first Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the second Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the third Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms.
DOI: 10.17188/1204710
title: Materials Data on HgAsO3 by Materials Project

description: HgAsO3 crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one HgAsO3 sheet oriented in the (0, 0, 1) direction. Hg1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Hg–O bond lengths are 2.43 Å. As5+ is bonded to six equivalent O2- atoms to form edge-sharing AsO6 octahedra. All As–O bond lengths are 1.87 Å. O2- is bonded in a 3-coordinate geometry to one Hg1+ and two equivalent As5+ atoms.
DOI: 10.17188/1204711
title: Materials Data on Sb2MoS by Materials Project

description: MoSb2S crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 3-coordinate geometry to three Sb2- and three S2- atoms. There are two shorter (2.86 Å) and one longer (2.90 Å) Mo–Sb bond lengths. There are two shorter (2.38 Å) and one longer (2.40 Å) Mo–S bond lengths. In the second Mo6+ site, Mo6+ is bonded in a 3-coordinate geometry to three Sb2- and three S2- atoms. There are two shorter (2.87 Å) and one longer (2.88 Å) Mo–Sb bond lengths. There are two shorter (2.38 Å) and one longer (2.40 Å) Mo–S bond lengths. In the third Mo6+ site, Mo6+ is bonded in a 3-coordinate geometry to three Sb2- and three S2- atoms. There are two shorter (2.85 Å) and one longer (2.89 Å) Mo–Sb bond lengths. There are two shorter (2.38 Å) and one longer (2.40 Å) Mo–S bond lengths. There are five inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a rectangular see-saw-like geometry to four Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 2.87–3.23 Å. In the second Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. There are two shorter (3.23 Å) and two longer (3.36 Å) Sb–Sb bond lengths. In the third Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 2.91–3.35 Å. In the fourth Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. The Sb–Sb bond length is 2.88 Å. In the fifth Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Sb2- atoms. There are one shorter (2.91 Å) and one longer (2.94 Å) Sb–Sb bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Mo6+ atoms.
DOI: 10.17188/1204712
title: Materials Data on Hg2SeO3 by Materials Project

description: Hg2SeO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Hg2SeO3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.25 Å) and two longer (2.63 Å) Hg–O bond lengths. In the second Hg1+ site, Hg1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.21–2.83 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg1+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Hg1+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg1+ and one Se4+ atom.
DOI: 10.17188/1204713
title: Materials Data on LuPS4 by Materials Project

description: LuPS4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one LuPS4 sheet oriented in the (1, 0, 0) direction. Lu3+ is bonded to seven S2- atoms to form distorted LuS7 pentagonal bipyramids that share a cornercorner with one PS4 tetrahedra, edges with three equivalent LuS7 pentagonal bipyramids, and edges with three equivalent PS4 tetrahedra. There are a spread of Lu–S bond distances ranging from 2.68–2.86 Å. P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share a cornercorner with one LuS7 pentagonal bipyramid and edges with three equivalent LuS7 pentagonal bipyramids. There are a spread of P–S bond distances ranging from 2.01–2.08 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one P5+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Lu3+ and one P5+ atom. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu3+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one P5+ atom.
DOI: 10.17188/1204714
title: Materials Data on Nd2Sn3 by Materials Project

description: Nd2Sn3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.22–3.77 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.22–3.59 Å. In the third Nd site, Nd is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.13–3.62 Å. In the fourth Nd site, Nd is bonded in a 9-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.26–3.78 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Nd and two Sn atoms. There are one shorter (2.97 Å) and one longer (3.20 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two Sn atoms. There are one shorter (3.04 Å) and one longer (3.07 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 7-coordinate geometry to five Nd and two equivalent Sn atoms. There are one shorter (2.96 Å) and one longer (2.98 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 10-coordinate geometry to seven Nd and three Sn atoms. There are one shorter (3.09 Å) and one longer (3.32 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to six Nd and three Sn atoms. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to five Nd and two equivalent Sn atoms.