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At least 91 records · Page 5

Materials Data on Hg3F by Materials Project

(Hg)6F2 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of two hydrofluoric acid molecules and six mercury molecules.

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Materials Data on Rb2SCl6F by Materials Project

(Rb2SCl6)2F2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one Rb2SCl6 framework. In the Rb2SCl6 framework, Rb is bonded to twelve equivalent Cl atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with four equivalent SCl6 octahedra. All Rb–Cl bond lengths are 3.56 Å. S is bonded to six equivalent Cl atoms to form SCl6 octahedra that share faces with eight equivalent RbCl12 cuboctahedra. All S–Cl bond lengths are 2.30 Å. Cl is bonded to four equivalent Rb and one S atom to form a mixture of distorted face, edge, and corner-sharing ClRb4S square pyramids.

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Materials Data on Cs2SCl6F by Materials Project

(Cs2SCl6)2F2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one Cs2SCl6 framework. In the Cs2SCl6 framework, Cs is bonded to twelve equivalent Cl atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent SCl6 octahedra. All Cs–Cl bond lengths are 3.66 Å. S is bonded to six equivalent Cl atoms to form SCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All S–Cl bond lengths are 2.31 Å. Cl is bonded to four equivalent Cs and one S atom to form a mixture of distorted face, edge, and corner-sharing ClCs4S square pyramids.

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Materials Data on HXe2F15 by Materials Project

(XeF6)4(HF2)2F2 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four hydrofluoric acid molecules, four hydrogen fluoride hydrogen fluoride molecules, and four XeF6 clusters. In each XeF6 cluster, there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.51 Å. In the second Xe site, Xe is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.48 Å. There are twelve inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom. In the sixth F site, F is bonded in a single-bond geometry to one Xe atom. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe atom. In the ninth F site, F is bonded in a bent 120 degrees geometry to two Xe atoms. In the tenth F site, F is bonded in a single-bond geometry to one Xe atom. In the eleventh F site, F is bonded in a bent 120 degrees geometry to two Xe atoms. In the twelfth F site, F is bonded in a single-bond geometry to one Xe atom.

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Materials Data on SbF6 by Materials Project

SbF6 is Modderite structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four hydrofluoric acid molecules and four Sb2F11 clusters. In each Sb2F11 cluster, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.04 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.14 Å. There are eleven 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 bent 150 degrees geometry to two Sb atoms. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom. In the ninth F site, F is bonded in a single-bond geometry to one Sb atom. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a single-bond geometry to one Sb atom.

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Materials Data on Sc(NF2)3 by Materials Project

(ScNF5)2(N2)2F2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two ammonia molecules, one hydrofluoric acid molecule, and one ScNF5 cluster. In the ScNF5 cluster, Sc3+ is bonded in a 2-coordinate geometry to three F1- atoms. There are a spread of Sc–F bond distances ranging from 1.15–2.64 Å. N1+ is bonded in a water-like geometry to two F1- atoms. There is one shorter (1.37 Å) and one longer (1.56 Å) N–F bond length. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Sc3+ and one F1- atom. The F–F bond length is 1.75 Å. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one N1+ and one F1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one N1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sc3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sc3+ atom.

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Materials Data on Ag3F by Materials Project

(Ag)6F2 crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two hydrofluoric acid molecules and six silver molecules.

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Materials Data on HgF3 by Materials Project

(HgF2)2F2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one HgF2 framework. In the HgF2 framework, Hg is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Hg–F bond lengths are 2.48 Å. F is bonded to four equivalent Hg atoms to form a mixture of edge and corner-sharing FHg4 tetrahedra.

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Materials Data on KF5 by Materials Project

(KF4)2F2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one KF4 framework. In the KF4 framework, K is bonded in a 8-coordinate geometry to eight equivalent F atoms. There are four shorter (2.69 Å) and four longer (2.74 Å) K–F bond lengths. F is bonded in a water-like geometry to two equivalent K atoms.

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Materials Data on NF by Materials Project

N2F2 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of six hydrofluoric acid molecules and three nitrogen molecules.

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Materials Data on Cr3B7O13F by Materials Project

(Cr3B7O13)2F2 crystallizes in the cubic F-43c space group. The structure is three-dimensional and consists of eight hydrofluoric acid molecules and one Cr3B7O13 framework. In the Cr3B7O13 framework, Cr2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cr–O bond lengths are 2.08 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four equivalent O2- atoms to form corner-sharing BO4 tetrahedra. All B–O bond lengths are 1.47 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is three shorter (1.44 Å) and one longer (1.69 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr2+ and two B3+ atoms.

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Materials Data on SbH5(O2F3)2 by Materials Project

H2(H3O2)2(H2O2)6(SbF4)4(F2)4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four hydrofluoric acid molecules, one hydrogen molecule, two hydrogen peroxide molecules, two water molecules, one H3O2 cluster, and two SbF4 clusters. In the H3O2 cluster, there are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.61 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.63 Å. In the third H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.30 Å) H–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two H atoms. In the second O site, O is bonded in a 1-coordinate geometry to two H atoms. In each SbF4 cluster, Sb is bonded in a 2-coordinate geometry to four F atoms. There are a spread of Sb–F bond distances ranging from 1.77–2.30 Å. 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.

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Materials Data on InH3F3 by Materials Project

(InF)2H2(HF)4 is Cyanogen Chloride-like structured and crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of four hydrofluoric acid molecules; two hydrogen molecules; and two InF ribbons oriented in the (0, 1, 0) direction. In each InF ribbon, In2+ is bonded in a linear geometry to two equivalent F1- atoms. There are one shorter (2.27 Å) and one longer (2.35 Å) In–F bond lengths. F1- is bonded in a linear geometry to two equivalent In2+ atoms.

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Materials Data on TiCuNO4F7 by Materials Project

(TiCu(O2F3)2)2N2F2 crystallizes in the tetragonal P4/n space group. The structure is zero-dimensional and consists of two ammonia molecules, two hydrofluoric acid molecules, and two TiCu(O2F3)2 clusters. In each TiCu(O2F3)2 cluster, Ti is bonded to six F atoms to form TiF6 octahedra that share a cornercorner with one CuO4F square pyramid. There are a spread of Ti–F bond distances ranging from 1.85–1.91 Å. Cu is bonded to four equivalent O and one F atom to form distorted CuO4F square pyramids that share a cornercorner with one TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.81 Å. The Cu–F bond length is 2.31 Å. O is bonded in a single-bond geometry to one Cu atom. There are three inequivalent F sites. In the first F site, F is bonded in a linear geometry to one Ti and one Cu atom. In the second F site, F is bonded in a single-bond geometry to one Ti atom. In the third F site, F is bonded in a single-bond geometry to one Ti atom.

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Materials Data on H7N2F by Materials Project

(NH4)2(NH3)2F2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four ammonia molecules, four ammonium molecules, and four hydrofluoric acid molecules.

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Materials Data on KCa4Si8H16O28F by Materials Project

(KCa4Si8(H4O7)4)2F2 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional and consists of two hydrofluoric acid molecules and one KCa4Si8(H4O7)4 framework. In the KCa4Si8(H4O7)4 framework, K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.71 Å. Ca2+ is bonded in a 2-coordinate geometry to two equivalent H1+ and four O2- atoms. Both Ca–H bond lengths are 2.42 Å. There are two shorter (2.19 Å) and two longer (2.60 Å) Ca–O bond lengths. Si4+ is bonded to five O2- atoms to form distorted corner-sharing SiO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.62–1.92 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one Ca2+ and one H1+ atom. The H–H bond length is 0.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ca2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ca2+, one Si4+, and one H1+ atom.

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Materials Data on Te4N5F21 by Materials Project

(N2)5(TeF5)8F2 crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of ten ammonia molecules, two hydrofluoric acid molecules, and eight TeF5 clusters. In each TeF5 cluster, Te5+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.85–1.95 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom.

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Materials Data on Sc(NF2)3 by Materials Project

(ScF3)2N2(NF)4F2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ammonia molecule, one hydrofluoric acid molecule, two monofluoroamine molecules, and one scandium fluoride molecule.

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