cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1201657
title: Materials Data on As(IF2)3 by Materials Project

description: As(IF3)2I crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydriodic acid molecules and two As(IF3)2 clusters. In each As(IF3)2 cluster, As3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.81 Å. There are two inequivalent I1+ sites. In the first I1+ site, I1+ is bonded in a single-bond geometry to one F1- atom. The I–F bond length is 2.66 Å. In the second I1+ site, I1+ is bonded in a single-bond geometry to one F1- atom. The I–F bond length is 2.80 Å. There are six 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. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3+ and one I1+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one As3+ and one I1+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom.
DOI: 10.17188/1201658
title: Materials Data on GaTeCl by Materials Project

description: GaTeCl crystallizes in the orthorhombic Pnnm space group. The structure is two-dimensional and consists of two GaTeCl sheets oriented in the (0, 0, 1) direction. Ga3+ is bonded to three equivalent Te2- and one Cl1- atom to form distorted corner-sharing GaTe3Cl tetrahedra. There are one shorter (2.67 Å) and two longer (2.69 Å) Ga–Te bond lengths. The Ga–Cl bond length is 2.20 Å. Te2- is bonded in a 5-coordinate geometry to three equivalent Ga3+ and two equivalent Cl1- atoms. Both Te–Cl bond lengths are 3.84 Å. Cl1- is bonded in a single-bond geometry to one Ga3+ and two equivalent Te2- atoms.
DOI: 10.17188/1201674
title: Materials Data on KCuCl3 by Materials Project

description: KCuCl3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.15–3.73 Å. Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Cu–Cl bond distances ranging from 2.26–2.32 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Cu2+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Cu2+ atom.
DOI: 10.17188/1201676
title: Materials Data on Al2PdCl8 by Materials Project

description: PdAl2Cl8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PdAl2Cl8 clusters. Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. All Pd–Cl bond lengths are 2.34 Å. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.10–2.25 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to one Pd2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to one Pd2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.
DOI: 10.17188/1201677
title: Materials Data on Li7SbO6 by Materials Project

description: Li7SbO6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with twelve LiO4 tetrahedra, edges with three equivalent SbO6 octahedra, and edges with six LiO4 tetrahedra. There are three shorter (2.11 Å) and three longer (2.43 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent SbO6 octahedra, corners with six equivalent LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, an edgeedge with one SbO6 octahedra, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–65°. There are a spread of Li–O bond distances ranging from 1.89–2.05 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent SbO6 octahedra, corners with six equivalent LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, an edgeedge with one SbO6 octahedra, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–56°. There are a spread of Li–O bond distances ranging from 1.98–2.01 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with twelve LiO4 tetrahedra, edges with three equivalent LiO6 octahedra, and edges with six LiO4 tetrahedra. There are three shorter (2.02 Å) and three longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Sb5+ atom.
DOI: 10.17188/1201678
title: Materials Data on BaLi2Si by Materials Project

description: BaLi2Si crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. There are one shorter (2.69 Å) and two longer (2.78 Å) Li–Si bond lengths. Ba2+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing BaSi4 tetrahedra. There are two shorter (3.46 Å) and two longer (3.61 Å) Ba–Si bond lengths. Si4- is bonded in a 10-coordinate geometry to six equivalent Li1+ and four equivalent Ba2+ atoms.
DOI: 10.17188/1201679
title: Materials Data on YCl3 by Materials Project

description: YCl3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one YCl3 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded to six Cl1- atoms to form edge-sharing YCl6 octahedra. There are four shorter (2.66 Å) and two longer (2.67 Å) Y–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Y3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Y3+ atoms.
DOI: 10.17188/1201680
title: Materials Data on BaBr2 by Materials Project

description: BaBr2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Ba–Br bond distances ranging from 3.28–3.90 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing BrBa4 tetrahedra. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to five equivalent Ba2+ atoms.
DOI: 10.17188/1201681
title: Materials Data on Ba(PO3)2 by Materials Project

description: Ba(PO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.81–3.26 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 1.49–1.65 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+ and two P5+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms.
DOI: 10.6084/m9.figshare.12656165.v7
title: COVID-19 Case Reports in China

description: Chinese prefectural level governments started to report daily confirmed COVID-19 cases online, starting from January 2020. The disclosures may contain the mobility, potential exposure scenario, epidemiological characteristics, and other useful information of individual cases. We organized a group of content coders since early March 2020, kept monitoring the information updates, manually extracted useful information from the public disclosures, and compiled these datasets.We welcome any form of collaborations with us and non-commercial reuse of our dataset. We highly encourage interested parties to examine the data, report errors in our coding, and help us to keep the data updated.The detailed data description can be found on SSRN preprint server https://dx.doi.org/10.2139/ssrn.3705815.
DOI: 10.17188/1201682
title: Materials Data on MoC by Materials Project

description: MoC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent C4- atoms to form a mixture of edge and corner-sharing MoC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–C bond lengths are 2.19 Å. C4- is bonded to six equivalent Mo4+ atoms to form a mixture of edge and corner-sharing CMo6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1201683
title: Materials Data on CN by Materials Project

description: CN is alpha carbon monoxide-like structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight hydrogen cyanide molecules. C3+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a single-bond geometry to one C3+ atom.
DOI: 10.17188/1201684
title: Materials Data on AlPS4 by Materials Project

description: AlPS4 is Silicon Disuphide-derived structured and crystallizes in the orthorhombic P222 space group. The structure is one-dimensional and consists of two AlPS4 ribbons oriented in the (0, 1, 0) direction. Al3+ is bonded to four equivalent S2- atoms to form distorted AlS4 tetrahedra that share edges with two equivalent PS4 tetrahedra. All Al–S bond lengths are 2.27 Å. P5+ is bonded to four equivalent S2- atoms to form PS4 tetrahedra that share edges with two equivalent AlS4 tetrahedra. All P–S bond lengths are 2.07 Å. S2- is bonded in an L-shaped geometry to one Al3+ and one P5+ atom.
DOI: 10.17188/1201685
title: Materials Data on S8O by Materials Project

description: (S)7SO crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of twenty-eight hydrogen sulfide molecules and four sulfur monoxide molecules.
DOI: 10.17188/1201686
title: Materials Data on LiTe3 by Materials Project

description: LiTe3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional and consists of two LiTe3 frameworks. there are two inequivalent Li sites. In the first Li site, Li is bonded to six Te atoms to form corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are three shorter (3.09 Å) and three longer (3.13 Å) Li–Te bond lengths. In the second Li site, Li is bonded to six equivalent Te atoms to form corner-sharing LiTe6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Li–Te bond lengths are 3.10 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a distorted linear geometry to two equivalent Li atoms. In the second Te site, Te is bonded in a distorted linear geometry to two Li atoms.
DOI: 10.17188/1201687
title: Materials Data on Ta6S by Materials Project

description: Ta6S crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are six inequivalent Ta sites. In the first Ta site, Ta is bonded in a single-bond geometry to two equivalent Ta and one S atom. There are one shorter (2.98 Å) and one longer (3.01 Å) Ta–Ta bond lengths. The Ta–S bond length is 2.55 Å. In the second Ta site, Ta is bonded in a water-like geometry to two equivalent Ta and two equivalent S atoms. There are one shorter (2.89 Å) and one longer (2.90 Å) Ta–Ta bond lengths. There are one shorter (2.46 Å) and one longer (2.56 Å) Ta–S bond lengths. In the third Ta site, Ta is bonded in a single-bond geometry to two equivalent Ta and one S atom. There are one shorter (3.01 Å) and one longer (3.02 Å) Ta–Ta bond lengths. The Ta–S bond length is 2.51 Å. In the fourth Ta site, Ta is bonded in a water-like geometry to two equivalent Ta and two equivalent S atoms. There are one shorter (2.82 Å) and one longer (2.85 Å) Ta–Ta bond lengths. There are one shorter (2.48 Å) and one longer (2.49 Å) Ta–S bond lengths. In the fifth Ta site, Ta is bonded in a single-bond geometry to two equivalent Ta and one S atom. There are one shorter (2.98 Å) and one longer (3.00 Å) Ta–Ta bond lengths. The Ta–S bond length is 2.49 Å. In the sixth Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner and face-sharing TaTa12 cuboctahedra. Both Ta–Ta bond lengths are 2.66 Å. S is bonded in a 7-coordinate geometry to seven Ta atoms.
DOI: 10.17188/1201688
title: Materials Data on U2BiN2 by Materials Project

description: U2N2Bi is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent N atoms. All U–Bi bond lengths are 3.42 Å. All U–N bond lengths are 2.25 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent U atoms. N is bonded to four equivalent U atoms to form a mixture of edge and corner-sharing NU4 tetrahedra.
DOI: 10.17188/1201689
title: Materials Data on Th2BiN2 by Materials Project

description: Th2BiN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent N atoms. All Th–Bi bond lengths are 3.75 Å. All Th–N bond lengths are 2.34 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Th atoms. N is bonded to four equivalent Th atoms to form a mixture of edge and corner-sharing NTh4 tetrahedra.
DOI: 10.17188/1201690
title: Materials Data on TbPd3 by Materials Project

description: TbPd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Pd atoms to form a mixture of corner and face-sharing TbPd12 cuboctahedra. All Tb–Pd bond lengths are 2.93 Å. Pd is bonded in a distorted square co-planar geometry to four equivalent Tb atoms.
DOI: 10.17188/1201691
title: Materials Data on NbPS by Materials Project

description: NbPS crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to four equivalent P3- and four equivalent S2- atoms. All Nb–P bond lengths are 2.61 Å. There are two shorter (2.60 Å) and two longer (2.62 Å) Nb–S bond lengths. P3- is bonded in a 6-coordinate geometry to four equivalent Nb5+ and two equivalent P3- atoms. There are one shorter (2.24 Å) and one longer (2.50 Å) P–P bond lengths. S2- is bonded to four equivalent Nb5+ atoms to form a mixture of distorted edge and corner-sharing SNb4 tetrahedra.
DOI: 10.17188/1201692
title: Materials Data on NbSbF10 by Materials Project

description: NbSbF10 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two NbSbF10 ribbons oriented in the (1, 0, 0) direction. Nb5+ is bonded to six F1- atoms to form distorted NbF6 octahedra that share corners with two equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Nb–F bond distances ranging from 1.85–2.21 Å. Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with two equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Sb–F bond distances ranging from 1.88–2.02 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.
DOI: 10.17188/1201693
title: Materials Data on Sb2TeF14 by Materials Project

description: Sb2F11TeF3 is Modderite structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Sb2F11 clusters and four TeF3 clusters. In each Sb2F11 cluster, there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Sb–F bond distances ranging from 1.89–2.08 Å. In the second Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Sb–F bond distances ranging from 1.88–2.05 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In each TeF3 cluster, Te4+ is bonded in a 3-coordinate geometry to three F1- atoms. There are a spread of Te–F bond distances ranging from 1.86–1.88 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te4+ atom.
DOI: 10.17188/1201694
title: Materials Data on PaBr4 by Materials Project

description: PaBr4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pa4+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are four shorter (2.84 Å) and four longer (3.13 Å) Pa–Br bond lengths. Br1- is bonded in a distorted water-like geometry to two equivalent Pa4+ atoms.
DOI: 10.17188/1201695
title: Materials Data on WSCl4 by Materials Project

description: WSCl4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two WSCl4 clusters. W6+ is bonded in a distorted trigonal bipyramidal geometry to one S2- and four Cl1- atoms. The W–S bond length is 2.10 Å. There are three shorter (2.30 Å) and one longer (2.31 Å) W–Cl bond lengths. S2- is bonded in a single-bond geometry to one W6+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.
DOI: 10.17188/1201696
title: Materials Data on TcOF4 by Materials Project

description: TcOF4 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six TcOF4 clusters. Tc6+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Tc–O bond length is 1.65 Å. There are a spread of Tc–F bond distances ranging from 1.86–1.92 Å. O2- is bonded in a single-bond geometry to one Tc6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Tc6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Tc6+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Tc6+ atom.
DOI: 10.17188/1201697
title: Materials Data on Na3PaF8 by Materials Project

description: Na3PaF8 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.45 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.46 Å. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Pa–F bond lengths are 2.22 Å. F1- is bonded to three Na1+ and one Pa5+ atom to form a mixture of edge and corner-sharing FNa3Pa tetrahedra.
DOI: 10.17188/1201698
title: Materials Data on CeAs by Materials Project

description: CeAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing CeAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–As bond lengths are 2.99 Å. As3- is bonded to six equivalent Ce3+ atoms to form a mixture of corner and edge-sharing AsCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1201699
title: Materials Data on Sn2OF2 by Materials Project

description: Sn2OF2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Sn2OF2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a rectangular see-saw-like geometry to two equivalent O2- and two equivalent F1- atoms. Both Sn–O bond lengths are 2.13 Å. Both Sn–F bond lengths are 2.41 Å. In the second Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to one O2- and two equivalent F1- atoms. The Sn–O bond length is 2.09 Å. Both Sn–F bond lengths are 2.18 Å. O2- is bonded in a distorted trigonal planar geometry to three Sn2+ atoms. F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms.