cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1202161
title: Materials Data on TcP4 by Materials Project

description: TcP4 is Hausmannite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Tc4+ is bonded to six P1- atoms to form TcP6 octahedra that share corners with two equivalent TcP6 octahedra, corners with fourteen PTc2P2 tetrahedra, and an edgeedge with one TcP6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Tc–P bond distances ranging from 2.35–2.55 Å. There are four inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Tc4+ and two P1- atoms to form distorted PTc2P2 tetrahedra that share corners with three equivalent TcP6 octahedra, corners with eleven PTcP3 tetrahedra, and an edgeedge with one PTc2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 64–73°. There are one shorter (2.20 Å) and one longer (2.23 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalent Tc4+ and two P1- atoms to form distorted PTc2P2 tetrahedra that share corners with three equivalent TcP6 octahedra and corners with thirteen PTc2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 53–59°. The P–P bond length is 2.27 Å. In the third P1- site, P1- is bonded to one Tc4+ and three P1- atoms to form distorted PTcP3 tetrahedra that share corners with four equivalent TcP6 octahedra and corners with ten PTc2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 56–76°. There are one shorter (2.19 Å) and one longer (2.21 Å) P–P bond lengths. In the fourth P1- site, P1- is bonded to one Tc4+ and three P1- atoms to form distorted PTcP3 tetrahedra that share corners with four equivalent TcP6 octahedra and corners with ten PTc2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 48–72°.
DOI: 10.17188/1202162
title: Materials Data on AsF3 by Materials Project

description: AsF3 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four trifluoroarsine molecules. As3+ is bonded in a distorted T-shaped geometry to three F1- atoms. There is one shorter (1.77 Å) and two longer (1.78 Å) As–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As3+ atom.
DOI: 10.17188/1202163
title: Materials Data on TcP3 by Materials Project

description: TcP3 is Hausmannite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tc1+ is bonded to six P+0.33- atoms to form TcP6 octahedra that share corners with four equivalent TcP6 octahedra, corners with six PTc3P tetrahedra, and edges with two equivalent TcP6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Tc–P bond distances ranging from 2.36–2.47 Å. There are three inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a distorted rectangular see-saw-like geometry to one Tc1+ and three P+0.33- atoms. There are two shorter (2.21 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded to three equivalent Tc1+ and one P+0.33- atom to form PTc3P tetrahedra that share corners with two equivalent TcP6 octahedra, corners with ten PTc2P2 tetrahedra, and an edgeedge with one PTc2P2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. The P–P bond length is 2.24 Å. In the third P+0.33- site, P+0.33- is bonded to two equivalent Tc1+ and two P+0.33- atoms to form distorted PTc2P2 tetrahedra that share corners with four equivalent TcP6 octahedra, corners with six PTc2P2 tetrahedra, and an edgeedge with one PTc3P tetrahedra. The corner-sharing octahedra tilt angles range from 50–74°.
DOI: 10.17188/1202166
title: Materials Data on BaP10 by Materials Project

description: BaP10 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve P+0.20- atoms. There are a spread of Ba–P bond distances ranging from 3.34–3.95 Å. There are eight inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded to one Ba2+ and three P+0.20- atoms to form PBaP3 tetrahedra that share corners with nine PBaP3 tetrahedra, corners with five PBa2P2 trigonal pyramids, and an edgeedge with one PBaP3 tetrahedra. There are a spread of P–P bond distances ranging from 2.23–2.26 Å. In the second P+0.20- site, P+0.20- is bonded to two equivalent Ba2+ and two P+0.20- atoms to form PBa2P2 tetrahedra that share corners with fourteen PBaP3 tetrahedra, corners with eight PBa2P2 trigonal pyramids, and an edgeedge with one PBa2P2 trigonal pyramid. There are one shorter (2.16 Å) and one longer (2.17 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Ba2+ and three P+0.20- atoms to form PBaP3 tetrahedra that share corners with eleven PBaP3 tetrahedra and corners with four PBa2P2 trigonal pyramids. There are one shorter (2.21 Å) and two longer (2.24 Å) P–P bond lengths. In the fourth P+0.20- site, P+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and three P+0.20- atoms. In the fifth P+0.20- site, P+0.20- is bonded to two equivalent Ba2+ and two P+0.20- atoms to form distorted PBa2P2 trigonal pyramids that share corners with fourteen PBaP3 tetrahedra, corners with four PBa2P2 trigonal pyramids, an edgeedge with one PBa2P2 tetrahedra, and edges with two equivalent PBaP3 trigonal pyramids. The P–P bond length is 2.20 Å. In the sixth P+0.20- site, P+0.20- is bonded to one Ba2+ and three P+0.20- atoms to form PBaP3 tetrahedra that share corners with seven PBaP3 tetrahedra and corners with six PBa2P2 trigonal pyramids. In the seventh P+0.20- site, P+0.20- is bonded to one Ba2+ and three P+0.20- atoms to form distorted PBaP3 tetrahedra that share corners with ten PBaP3 tetrahedra and corners with four PBa2P2 trigonal pyramids. Both P–P bond lengths are 2.21 Å. In the eighth P+0.20- site, P+0.20- is bonded to one Ba2+ and three P+0.20- atoms to form distorted PBaP3 trigonal pyramids that share corners with nine PBaP3 tetrahedra, corners with two PBa2P2 trigonal pyramids, and edges with two PBaP3 trigonal pyramids.
DOI: 10.17188/1202167
title: Materials Data on Mo2SBr2 by Materials Project

description: Mo2SBr2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Mo2SBr2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to three S2- and two equivalent Br1- atoms to form a mixture of edge and corner-sharing MoS3Br2 square pyramids. There are a spread of Mo–S bond distances ranging from 2.44–2.57 Å. Both Mo–Br bond lengths are 2.64 Å. In the second Mo2+ site, Mo2+ is bonded to two S2- and three Br1- atoms to form a mixture of edge and corner-sharing MoS2Br3 square pyramids. There are one shorter (2.42 Å) and one longer (2.51 Å) Mo–S bond lengths. There are a spread of Mo–Br bond distances ranging from 2.64–2.69 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Mo2+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Mo2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Mo2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three Mo2+ atoms.
DOI: 10.17188/1202168
title: Materials Data on NbTeBr3 by Materials Project

description: NbTeBr3 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Nb5+ is bonded in a 7-coordinate geometry to two equivalent Te2- and five Br1- atoms. There are one shorter (2.81 Å) and one longer (2.90 Å) Nb–Te bond lengths. There are a spread of Nb–Br bond distances ranging from 2.56–2.79 Å. Te2- is bonded in a 9-coordinate geometry to two equivalent Nb5+, one Te2-, and six Br1- atoms. The Te–Te bond length is 2.70 Å. There are a spread of Te–Br bond distances ranging from 3.51–4.22 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Nb5+ and one Te2- atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Nb5+ and three equivalent Te2- atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and two equivalent Te2- atoms.
DOI: 10.17188/1202169
title: Materials Data on LaP2 by Materials Project

description: LaPP crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine P+1.50- atoms. There are a spread of La–P bond distances ranging from 2.96–3.34 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine P+1.50- atoms. There are a spread of La–P bond distances ranging from 2.94–3.24 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine P+1.50- atoms. There are a spread of La–P bond distances ranging from 2.99–3.18 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine P+1.50- atoms. There are a spread of La–P bond distances ranging from 2.99–3.22 Å. There are eight inequivalent P+1.50- sites. In the first P+1.50- site, P+1.50- is bonded in a 6-coordinate geometry to five La3+ and one P+1.50- atom. The P–P bond length is 2.20 Å. In the second P+1.50- site, P+1.50- is bonded in a 6-coordinate geometry to four La3+ and two P+1.50- atoms. The P–P bond length is 2.32 Å. In the third P+1.50- site, P+1.50- is bonded in a 6-coordinate geometry to four La3+ and two P+1.50- atoms. The P–P bond length is 2.23 Å. In the fourth P+1.50- site, P+1.50- is bonded in a 6-coordinate geometry to four La3+ and two P+1.50- atoms. The P–P bond length is 2.22 Å. In the fifth P+1.50- site, P+1.50- is bonded to five La3+ and one P+1.50- atom to form a mixture of distorted edge, face, and corner-sharing PLa5P octahedra. The corner-sharing octahedra tilt angles range from 34–54°. The P–P bond length is 2.22 Å. In the sixth P+1.50- site, P+1.50- is bonded in a 6-coordinate geometry to four La3+ and two P+1.50- atoms. The P–P bond length is 2.24 Å. In the seventh P+1.50- site, P+1.50- is bonded to five La3+ and one P+1.50- atom to form a mixture of distorted edge, face, and corner-sharing PLa5P pentagonal pyramids. The corner-sharing octahedra tilt angles range from 35–49°. In the eighth P+1.50- site, P+1.50- is bonded to five La3+ and one P+1.50- atom to form a mixture of distorted edge and corner-sharing PLa5P octahedra. The corner-sharing octahedra tilt angles range from 35–52°.
DOI: 10.17188/1202170
title: Materials Data on Hf(BH4)4 by Materials Project

description: Hf(BH4)4 is alpha Po structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one Hf(BH4)4 cluster. Hf4+ is bonded to twelve equivalent H+0.50+ atoms to form HfH12 cuboctahedra that share faces with four equivalent BH4 tetrahedra. All Hf–H bond lengths are 2.13 Å. B3- is bonded to four H+0.50+ atoms to form BH4 tetrahedra that share a faceface with one HfH12 cuboctahedra. There is one shorter (1.19 Å) and three longer (1.25 Å) B–H bond length. There are two inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Hf4+ and one B3- atom.
DOI: 10.17188/1202171
title: Materials Data on Pb9(Br5O2)2 by Materials Project

description: Pb9(O2Br5)2 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted square pyramidal geometry to five Br1- atoms. There are one shorter (2.77 Å) and four longer (3.11 Å) Pb–Br bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to one O2- and six Br1- atoms. The Pb–O bond length is 2.30 Å. There are a spread of Pb–Br bond distances ranging from 2.91–3.82 Å. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three equivalent O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.35–2.40 Å. There are one shorter (3.54 Å) and one longer (3.59 Å) Pb–Br bond lengths. O2- is bonded to four Pb2+ and one Br1- atom to form a mixture of distorted edge, face, and corner-sharing OPb4Br tetrahedra. The O–Br bond length is 3.57 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to five Pb2+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to one Pb2+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to eight Pb2+ and four equivalent O2- atoms. In the fourth Br1- site, Br1- is bonded in a 2-coordinate geometry to five Pb2+ atoms.
DOI: 10.17188/1202173
title: Materials Data on TmCl3 by Materials Project

description: TmCl3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Cl1- atoms to form corner-sharing TmCl6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Tm–Cl bond lengths are 2.62 Å. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Tm3+ atoms.
DOI: 10.17188/1202174
title: Materials Data on AlP2I9 by Materials Project

description: AlI4PI3PI2 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight 15177-78-3 molecules, eight phosphorus triiodide molecules, and eight AlI4 clusters. In each AlI4 cluster, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.54–2.61 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom.
DOI: 10.17188/1202175
title: Materials Data on KTlBr4 by Materials Project

description: KTlBr4 is Zircon-like structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.49–3.58 Å. Tl3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.63 Å) and two longer (2.64 Å) Tl–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Tl3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Tl3+ atom.
DOI: 10.17188/1202176
title: Materials Data on BaBrCl by Materials Project

description: BaBrCl is Cotunnite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to four equivalent Br1- and three equivalent Cl1- atoms. There are a spread of Ba–Br bond distances ranging from 3.32–3.35 Å. There are one shorter (3.11 Å) and two longer (3.18 Å) Ba–Cl bond lengths. Br1- is bonded to four equivalent Ba2+ atoms to form a mixture of distorted edge and corner-sharing BrBa4 tetrahedra. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ba2+ atoms.
DOI: 10.17188/1202177
title: Materials Data on LuAl3 by Materials Project

description: LuAl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Al atoms to form LuAl12 cuboctahedra that share corners with twelve equivalent LuAl12 cuboctahedra, edges with twenty-four equivalent AlLu4Al8 cuboctahedra, faces with six equivalent LuAl12 cuboctahedra, and faces with twelve equivalent AlLu4Al8 cuboctahedra. All Lu–Al bond lengths are 2.97 Å. Al is bonded to four equivalent Lu and eight equivalent Al atoms to form AlLu4Al8 cuboctahedra that share corners with twelve equivalent AlLu4Al8 cuboctahedra, edges with eight equivalent LuAl12 cuboctahedra, edges with sixteen equivalent AlLu4Al8 cuboctahedra, faces with four equivalent LuAl12 cuboctahedra, and faces with fourteen equivalent AlLu4Al8 cuboctahedra. All Al–Al bond lengths are 2.97 Å.
DOI: 10.17188/1202178
title: Materials Data on SbTeI by Materials Project

description: SbTeI crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SbTeI ribbon oriented in the (1, 0, 0) direction. Sb3+ is bonded to three equivalent Te2- and two equivalent I1- atoms to form edge-sharing SbTe3I2 square pyramids. There are one shorter (2.87 Å) and two longer (3.01 Å) Sb–Te bond lengths. Both Sb–I bond lengths are 3.22 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms.
DOI: 10.17188/1202180
title: Materials Data on P2Rh3 by Materials Project

description: Rh3P2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent P atoms. All Rh–P bond lengths are 2.33 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent P atoms. There are one shorter (2.36 Å) and four longer (2.48 Å) Rh–P bond lengths. P is bonded to seven Rh atoms to form a mixture of distorted edge, corner, and face-sharing PRh7 pentagonal bipyramids.
DOI: 10.17188/1202182
title: Materials Data on YbSn by Materials Project

description: YbSn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Sn atoms. All Yb–Sn bond lengths are 3.34 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.6084/m9.figshare.13661696.v1
title: Baseline Data.zip

description: This is the data set for predicting clone consistent change.Baseline data
DOI: 10.6084/m9.figshare.13661696
title: Baseline Data.zip

description: This is the data set for predicting clone consistent change.Baseline data
DOI: 10.17188/1202183
title: Materials Data on LiGeTe2 by Materials Project

description: LiGeTe2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of distorted edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Li–Te bond distances ranging from 2.95–3.43 Å. In the second Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Li–Te bond distances ranging from 2.98–3.15 Å. In the third Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 6–13°. There are a spread of Li–Te bond distances ranging from 3.05–3.25 Å. In the fourth Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are a spread of Li–Te bond distances ranging from 3.04–3.11 Å. There are three inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.56–2.68 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.56 Å) and two longer (2.65 Å) Ge–Te bond lengths. In the third Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.55 Å) and two longer (2.66 Å) Ge–Te bond lengths. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Li1+ and one Ge3+ atom to form a mixture of distorted edge and corner-sharing TeLi4Ge square pyramids. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two Li1+ and two Ge3+ atoms. In the third Te2- site, Te2- is bonded in a distorted see-saw-like geometry to two Li1+ and two Ge3+ atoms. In the fourth Te2- site, Te2- is bonded to four Li1+ and one Ge3+ atom to form a mixture of distorted edge and corner-sharing TeLi4Ge square pyramids. In the fifth Te2- site, Te2- is bonded in a distorted see-saw-like geometry to two Li1+ and two Ge3+ atoms. In the sixth Te2- site, Te2- is bonded to four Li1+ and one Ge3+ atom to form a mixture of distorted edge and corner-sharing TeLi4Ge square pyramids.
DOI: 10.17188/1202184
title: Materials Data on Sb2F7 by Materials Project

description: Sb2F7 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two SbF6 clusters and one Sb3F8 ribbon oriented in the (0, 1, 0) direction. In each SbF6 cluster, Sb is bonded in an octahedral geometry to six F atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the Sb3F8 ribbon, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a distorted square pyramidal geometry to five F atoms. There are a spread of Sb–F bond distances ranging from 1.93–2.38 Å. In the second Sb site, Sb is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sb–F bond distances ranging from 1.94–2.26 Å. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a distorted bent 150 degrees geometry to two Sb atoms. In the third F site, F is bonded in a bent 150 degrees geometry to two equivalent Sb atoms. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms.
DOI: 10.17188/1202185
title: Materials Data on SbS8Cl3 by Materials Project

description: SbCl3(S)8 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two antimony trichloride molecules and two octasulfur molecules.
DOI: 10.17188/1202186
title: Materials Data on ThNCl by Materials Project

description: ThNCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to four equivalent N3- and five equivalent Cl1- atoms. All Th–N bond lengths are 2.35 Å. There are one shorter (3.24 Å) and four longer (3.26 Å) Th–Cl bond lengths. N3- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing NTh4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Th4+ atoms.