cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1201565
title: Materials Data on Al2Hg3Cl8 by Materials Project

description: Hg3Al2Cl8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Hg3Al2Cl8 clusters. there are three inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted single-bond geometry to one Hg and one Cl atom. The Hg–Hg bond length is 2.66 Å. The Hg–Cl bond length is 2.61 Å. In the second Hg site, Hg is bonded in a distorted single-bond geometry to one Hg and one Cl atom. The Hg–Hg bond length is 2.65 Å. The Hg–Cl bond length is 2.58 Å. In the third Hg site, Hg is bonded in a linear geometry to two Hg atoms. There are two inequivalent Al sites. In the first Al site, Al is bonded in a tetrahedral geometry to four Cl atoms. There are a spread of Al–Cl bond distances ranging from 2.14–2.23 Å. In the second Al site, Al is bonded in a tetrahedral geometry to four Cl atoms. There are a spread of Al–Cl bond distances ranging from 2.14–2.22 Å. There are eight inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the second Cl site, Cl is bonded in a water-like geometry to one Hg and one Al atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the fifth Cl site, Cl is bonded in a water-like geometry to one Hg and one Al atom. In the sixth Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the seventh Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the eighth Cl site, Cl is bonded in a single-bond geometry to one Al atom.
DOI: 10.17188/1201567
title: Materials Data on BSF7 by Materials Project

description: BF4SF3 is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four BF4 clusters and four SF3 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.40–1.43 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In each SF3 cluster, S4+ is bonded in a 3-coordinate geometry to three F1- atoms. There is one shorter (1.55 Å) and two longer (1.56 Å) S–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S4+ atom.
DOI: 10.17188/1201568
title: Materials Data on PaO by Materials Project

description: PaO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded to six equivalent O atoms to form a mixture of edge and corner-sharing PaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.47 Å. O is bonded to six equivalent Pa atoms to form a mixture of edge and corner-sharing OPa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1201569
title: Materials Data on U(BH4)4 by Materials Project

description: U(BH4)4 crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. U4+ is bonded in a 10-coordinate geometry to fourteen H+0.50+ atoms. There are a spread of U–H bond distances ranging from 2.26–2.45 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. There is one shorter (1.23 Å) and three longer (1.24 Å) B–H bond length. In the second B3- site, B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. There is one shorter (1.20 Å) and three longer (1.25 Å) B–H bond length. There are eight inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one U4+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one U4+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one U4+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one U4+ and one B3- atom. In the fifth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one U4+ and one B3- atom. In the sixth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one B3- atom. In the seventh H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one U4+ and one B3- atom. In the eighth H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one U4+ and one B3- atom.
DOI: 10.17188/1201570
title: Materials Data on SbN3Cl4 by Materials Project

description: SbN3Cl4 is Protactinium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two SbN3Cl4 clusters. Sb5+ is bonded to two equivalent N+0.33- and four Cl1- atoms to form edge-sharing SbN2Cl4 octahedra. Both Sb–N bond lengths are 2.26 Å. There are a spread of Sb–Cl bond distances ranging from 2.35–2.37 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a single-bond geometry to one N+0.33- atom. The N–N bond length is 1.14 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.24 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Sb5+ and one N+0.33- atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.
DOI: 10.17188/1201571
title: Materials Data on Sr(Ag3O2)2 by Materials Project

description: Sr(Ag3O2)2 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form edge-sharing SrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.49–2.73 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.42 Å) and two longer (2.90 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a bent 150 degrees geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.16 Å) Ag–O bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and four Ag1+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three Ag1+ atoms to form a mixture of distorted edge and corner-sharing OSr2Ag3 trigonal bipyramids.
DOI: 10.17188/1201572
title: Materials Data on SbCl2F3 by Materials Project

description: SbCl4Sb2Cl2F9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Sb2Cl2F9 clusters and four SbCl4 clusters. In each Sb2Cl2F9 cluster, there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to one Cl1- and five F1- atoms to form corner-sharing SbClF5 octahedra. The corner-sharing octahedral tilt angles are 19°. The Sb–Cl bond length is 2.32 Å. There are a spread of Sb–F bond distances ranging from 1.90–2.09 Å. In the second Sb5+ site, Sb5+ is bonded to one Cl1- and five F1- atoms to form distorted corner-sharing SbClF5 octahedra. The corner-sharing octahedral tilt angles are 19°. The Sb–Cl bond length is 2.32 Å. There are a spread of Sb–F bond distances ranging from 1.91–2.10 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. There are nine 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 bent 150 degrees geometry to two Sb5+ atoms. 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 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 each SbCl4 cluster, Sb5+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.27 Å) and one longer (2.28 Å) Sb–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ atom.
DOI: 10.17188/1201573
title: Materials Data on Cs3HgCl5 by Materials Project

description: Cs3HgCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.49–4.04 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.41–3.78 Å. Hg2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.51 Å) and one longer (2.60 Å) Hg–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to five Cs1+ and one Hg2+ atom. In the second Cl1- site, Cl1- is bonded to six Cs1+ atoms to form face-sharing ClCs6 octahedra. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Cs1+ and one Hg2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Cs1+ and one Hg2+ atom.
DOI: 10.21227/gch5-bd58
title: Test

description: A workbook with scintillator measurement data.
DOI: 10.17188/1201574
title: Materials Data on Pb2OF2 by Materials Project

description: Pb2OF2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Pb2+ is bonded to two equivalent O2- and four equivalent F1- atoms to form a mixture of distorted edge and corner-sharing PbO2F4 pentagonal pyramids. There are one shorter (2.26 Å) and one longer (2.45 Å) Pb–O bond lengths. There are two shorter (2.58 Å) and two longer (2.65 Å) Pb–F bond lengths. O2- is bonded to four equivalent Pb2+ atoms to form distorted edge-sharing OPb4 tetrahedra. F1- is bonded in a 4-coordinate geometry to four equivalent Pb2+ atoms.
DOI: 10.17188/1201575
title: Materials Data on AsO2 by Materials Project

description: AsO2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two AsO2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent As sites. In the first As site, As is bonded in a distorted T-shaped geometry to three O atoms. There is two shorter (1.84 Å) and one longer (1.86 Å) As–O bond length. In the second As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.66–1.76 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one As atom. In the second O site, O is bonded in a bent 120 degrees geometry to two As atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two As atoms.
DOI: 10.17188/1201576
title: Materials Data on Se2O5 by Materials Project

description: Se2O5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Se2O5 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Se5+ sites. In the first Se5+ site, Se5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.62–1.94 Å. In the second Se5+ site, Se5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.63–1.76 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Se5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Se5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Se5+ atoms.
DOI: 10.17188/1201577
title: Materials Data on CsScCl3 by Materials Project

description: CsScCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with six equivalent CsCl12 cuboctahedra, corners with six equivalent ScCl6 octahedra, faces with eight equivalent CsCl12 cuboctahedra, and faces with six equivalent ScCl6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are six shorter (3.78 Å) and six longer (3.82 Å) Cs–Cl bond lengths. Sc2+ is bonded to six equivalent Cl1- atoms to form ScCl6 octahedra that share corners with six equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with two equivalent ScCl6 octahedra. All Sc–Cl bond lengths are 2.60 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Sc2+ atoms.
DOI: 10.17188/1201578
title: Materials Data on ReBiO4 by Materials Project

description: BiReO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Re5+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Re–O bond distances ranging from 1.89–2.05 Å. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.29 Å) and four longer (2.44 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Re5+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OReBi3 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Re5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re5+ atoms.
DOI: 10.17188/1201579
title: Materials Data on Nb(SeCl)2 by Materials Project

description: NbSe2Cl2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one NbSe2Cl2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four Se+1.50- and four Cl1- atoms. There are two shorter (2.64 Å) and two longer (2.66 Å) Nb–Se bond lengths. There are a spread of Nb–Cl bond distances ranging from 2.61–2.65 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 9-coordinate geometry to two equivalent Nb5+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a 10-coordinate geometry to two equivalent Nb5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms.
DOI: 10.17188/1201580
title: Materials Data on Nb(SCl)2 by Materials Project

description: NbS2Cl2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbS2Cl2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four S+1.50- and four equivalent Cl1- atoms. There are two shorter (2.50 Å) and two longer (2.51 Å) Nb–S bond lengths. There are two shorter (2.59 Å) and two longer (2.64 Å) Nb–Cl bond lengths. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to two equivalent Nb5+ atoms. In the second S+1.50- site, S+1.50- is bonded in a 10-coordinate geometry to two equivalent Nb5+ atoms. Cl1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms.
DOI: 10.17188/1201581
title: Materials Data on BaVSe3 by Materials Project

description: BaVSe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent Se2- atoms to form BaSe12 cuboctahedra that share corners with six equivalent BaSe12 cuboctahedra, corners with six equivalent VSe6 octahedra, faces with eight equivalent BaSe12 cuboctahedra, and faces with six equivalent VSe6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are six shorter (3.51 Å) and six longer (3.63 Å) Ba–Se bond lengths. V4+ is bonded to six equivalent Se2- atoms to form VSe6 octahedra that share corners with six equivalent BaSe12 cuboctahedra, faces with six equivalent BaSe12 cuboctahedra, and faces with two equivalent VSe6 octahedra. All V–Se bond lengths are 2.53 Å. Se2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent V4+ atoms.
DOI: 10.17188/1201582
title: Materials Data on BaBiSe3 by Materials Project

description: BaBiSe3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine Se+1.67- atoms. There are a spread of Ba–Se bond distances ranging from 3.25–3.67 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine Se+1.67- atoms. There are a spread of Ba–Se bond distances ranging from 3.24–3.92 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Se+1.67- atoms to form a mixture of edge and corner-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 4–10°. There are a spread of Bi–Se bond distances ranging from 2.76–3.34 Å. In the second Bi3+ site, Bi3+ is bonded to six Se+1.67- atoms to form a mixture of edge and corner-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 4–10°. There are a spread of Bi–Se bond distances ranging from 2.76–3.42 Å. There are six inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded to one Ba2+ and five Bi3+ atoms to form distorted SeBaBi5 octahedra that share corners with four SeBa2Bi3 trigonal bipyramids, edges with four equivalent SeBaBi5 octahedra, and edges with seven SeBa4Bi trigonal bipyramids. In the second Se+1.67- site, Se+1.67- is bonded in a 7-coordinate geometry to four Ba2+ and three Se+1.67- atoms. There are one shorter (2.65 Å) and two longer (2.97 Å) Se–Se bond lengths. In the third Se+1.67- site, Se+1.67- is bonded in a 6-coordinate geometry to three Ba2+, two equivalent Bi3+, and one Se+1.67- atom. In the fourth Se+1.67- site, Se+1.67- is bonded to four Ba2+ and one Bi3+ atom to form distorted SeBa4Bi trigonal bipyramids that share a cornercorner with one SeBaBi5 octahedra, corners with six SeBa4Bi trigonal bipyramids, edges with two equivalent SeBaBi5 octahedra, and edges with six SeBa4Bi trigonal bipyramids. The corner-sharing octahedral tilt angles are 5°. In the fifth Se+1.67- site, Se+1.67- is bonded to four Ba2+ and one Bi3+ atom to form distorted SeBa4Bi trigonal bipyramids that share corners with five SeBa2Bi3 trigonal bipyramids, edges with two equivalent SeBaBi5 octahedra, and edges with six SeBa4Bi trigonal bipyramids. In the sixth Se+1.67- site, Se+1.67- is bonded to two Ba2+ and three Bi3+ atoms to form distorted SeBa2Bi3 trigonal bipyramids that share corners with three equivalent SeBaBi5 octahedra, corners with five SeBa4Bi trigonal bipyramids, edges with three equivalent SeBaBi5 octahedra, and edges with four SeBa4Bi trigonal bipyramids. The corner-sharing octahedra tilt angles range from 5–54°.
DOI: 10.17188/1201583
title: Materials Data on KNiCl3 by Materials Project

description: KNiCl3 crystallizes in the hexagonal P6_3cm 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 3.30–3.48 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six equivalent Cl1- atoms to form face-sharing NiCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.42 Å) Ni–Cl bond lengths. In the second Ni2+ site, Ni2+ is bonded to six equivalent Cl1- atoms to form face-sharing NiCl6 octahedra. There are three shorter (2.40 Å) and three longer (2.41 Å) Ni–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ni2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ni2+ atoms.
DOI: 10.17188/1201584
title: Materials Data on SeOF2 by Materials Project

description: SeOF2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four SeOF2 clusters. Se4+ is bonded in a distorted trigonal non-coplanar geometry to one O2- and two F1- atoms. The Se–O bond length is 1.63 Å. There is one shorter (1.77 Å) and one longer (1.79 Å) Se–F bond length. O2- is bonded in a single-bond geometry to one Se4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom.