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At least 1,135 records · Page 63

Materials Data on SiF4 by Materials Project

SiF4 is Silicon tetrafluoride structured and crystallizes in the cubic I-43m space group. The structure is zero-dimensional and consists of two silane, tetrafluoro- molecules. Si4+ is bonded in a tetrahedral geometry to four equivalent F1- atoms. All Si–F bond lengths are 1.58 Å. F1- is bonded in a single-bond geometry to one Si4+ atom.

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Materials Data on B4H5 by Materials Project

B4H5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve boranediylradical molecules and four B13H17 clusters. In each B13H17 cluster, there are thirteen inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one B and one H atom. The B–B bond length is 1.72 Å. The B–H bond length is 1.20 Å. In the second B site, B is bonded in a single-bond geometry to one B and one H atom. The B–B bond length is 1.79 Å. The B–H bond length is 1.19 Å. In the third B site, B is bonded in a distorted hexagonal planar geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.71–1.91 Å. In the fourth B site, B is bonded in a distorted single-bond geometry to one B and one H atom. The B–H bond length is 1.32 Å. In the fifth B site, B is bonded in a water-like geometry to two H atoms. There is one shorter (1.19 Å) and one longer (1.35 Å) B–H bond length. In the sixth B site, B is bonded in a distorted water-like geometry to two H atoms. There is one shorter (1.19 Å) and one longer (1.32 Å) B–H bond length. In the seventh B site, B is bonded in a distorted trigonal non-coplanar geometry to three H atoms. There is one shorter (1.19 Å) and two longer (1.35 Å) B–H bond length. In the eighth B site, B is bonded in a water-like geometry to one B and two H atoms. There is one shorter (1.19 Å) and one longer (1.32 Å) B–H bond length. In the ninth B site, B is bonded in a distorted single-bond geometry to one B and one H atom. The B–H bond length is 1.19 Å. In the tenth B site, B is bonded in a distorted water-like geometry to two H atoms. There is one shorter (1.19 Å) and one longer (1.32 Å) B–H bond length. In the eleventh B site, B is bonded in a distorted trigonal non-coplanar geometry to three H atoms. There are a spread of B–H bond distances ranging from 1.19–1.37 Å. In the twelfth B site, B is bonded in a distorted trigonal non-coplanar geometry to three H atoms. There are a spread of B–H bond distances ranging from 1.19–1.37 Å. In the thirteenth B site, B is bonded in a distorted water-like geometry to one B and two H atoms. There is one shorter (1.19 Å) and one longer (1.31 Å) B–H bond length. There are seventeen inequivalent H sites. In the first H site, H is bonded in an L-shaped geometry to two B atoms. In the second H site, H is bonded in an L-shaped geometry to two B atoms. In the third H site, H is bonded in an L-shaped geometry to two B atoms. In the fourth H site, H is bonded in an L-shaped geometry to two B atoms. In the fifth H site, H is bonded in a single-bond geometry to one B atom. In the sixth H site, H is bonded in a single-bond geometry to one B atom. In the seventh H site, H is bonded in a single-bond geometry to one B atom. In the eighth H site, H is bonded in a single-bond geometry to one B atom. In the ninth H site, H is bonded in a single-bond geometry to one B atom. In the tenth H site, H is bonded in a single-bond geometry to one B atom. In the eleventh H site, H is bonded in a single-bond geometry to one B atom. In the twelfth H site, H is bonded in a single-bond geometry to one B atom. In the thirteenth H site, H is bonded in a single-bond geometry to one B atom. In the fourteenth H site, H is bonded in a single-bond geometry to one B atom. In the fifteenth H site, H is bonded in a single-bond geometry to one B atom. In the sixteenth H site, H is bonded in an L-shaped geometry to two B atoms. In the seventeenth H site, H is bonded in an L-shaped geometry to two B atoms.

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Materials Data on Ta2O by Materials Project

Ta2O is alpha Po structured and crystallizes in the cubic I-43m space group. The structure is zero-dimensional and consists of six tantalum molecules and two Ta5O4 clusters. In each Ta5O4 cluster, there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted single-bond geometry to one O atom. The Ta–O bond length is 1.84 Å. In the second Ta site, Ta is bonded in a tetrahedral geometry to four equivalent O atoms. All Ta–O bond lengths are 1.88 Å. O is bonded in a distorted linear geometry to two Ta atoms.

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Materials Data on CI4 by Materials Project

CI4 is Iron carbide-like structured and crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of two periodomethane molecules. C4+ is bonded in a tetrahedral geometry to four equivalent I1- atoms. All C–I bond lengths are 2.18 Å. I1- is bonded in a single-bond geometry to one C4+ atom.

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Materials Data on WBr6 by Materials Project

WBr6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three hexabromotungsten molecules. W6+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All W–Br bond lengths are 2.48 Å. Br1- is bonded in a single-bond geometry to one W6+ atom.

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Materials Data on RuO4 by Materials Project

RuO4 is Silicon tetrafluoride-like structured and crystallizes in the cubic P-43n space group. The structure is zero-dimensional and consists of eight ruthenium(iv) hydroxide molecules. Ru is bonded in a tetrahedral geometry to four equivalent O atoms. All Ru–O bond lengths are 1.71 Å. O is bonded in a single-bond geometry to one Ru atom.

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Materials Data on H8C2I3N by Materials Project

(CH3)2NH2(I)3 is Halite, Rock Salt-like structured and crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of four dimethylazanium molecules and four I clusters. In each I cluster, there are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one I1- atom. The I–I bond length is 2.95 Å. In the second I1- site, I1- is bonded in a linear geometry to two equivalent I1- atoms.

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Materials Data on CO2 by Materials Project

CO2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four carbon dioxide molecules. C4+ is bonded in a linear geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.18 Å. O2- is bonded in a single-bond geometry to one C4+ atom.

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Materials Data on Ti4S8Br6O by Materials Project

Ti4S8O(Br)6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-four hydrobromic acid molecules and four Ti4S8O clusters. In each Ti4S8O cluster, there are four inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded in a distorted single-bond geometry to four S2- and one O2- atom. There are a spread of Ti–S bond distances ranging from 2.42–2.53 Å. The Ti–O bond length is 2.04 Å. In the second Ti3+ site, Ti3+ is bonded in a distorted single-bond geometry to four S2- and one O2- atom. There are a spread of Ti–S bond distances ranging from 2.41–2.53 Å. The Ti–O bond length is 2.05 Å. In the third Ti3+ site, Ti3+ is bonded in a distorted single-bond geometry to four S2- and one O2- atom. There are two shorter (2.41 Å) and two longer (2.52 Å) Ti–S bond lengths. The Ti–O bond length is 2.03 Å. In the fourth Ti3+ site, Ti3+ is bonded in a distorted single-bond geometry to four S2- and one O2- atom. There are a spread of Ti–S bond distances ranging from 2.41–2.52 Å. The Ti–O bond length is 2.04 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two Ti3+ and one S2- atom. The S–S bond length is 2.05 Å. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two Ti3+ and one S2- atom. The S–S bond length is 2.05 Å. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two Ti3+ and one S2- atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two Ti3+ and one S2- atom. The S–S bond length is 2.05 Å. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to two Ti3+ and one S2- atom. In the sixth S2- site, S2- is bonded in a 2-coordinate geometry to two Ti3+ and one S2- atom. In the seventh S2- site, S2- is bonded in a 2-coordinate geometry to two Ti3+ and one S2- atom. The S–S bond length is 2.05 Å. In the eighth S2- site, S2- is bonded in a 2-coordinate geometry to two Ti3+ and one S2- atom. O2- is bonded in a distorted tetrahedral geometry to four Ti3+ atoms.

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Materials Data on MoF6 by Materials Project

MoF6 is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two molybdenum hexafluoride molecules. Mo6+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Mo–F bond lengths are 1.87 Å. F1- is bonded in a single-bond geometry to one Mo6+ atom.

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Materials Data on SiSe2 by Materials Project

SiSe2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is zero-dimensional and consists of four $l^{1}-selanyl(selanylidene)silicon molecules. Si4+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Si–Se bond lengths are 2.09 Å. Se2- is bonded in a single-bond geometry to one Si4+ atom.

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Materials Data on SnI4 by Materials Project

SnI4 is Iron carbide structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one stannic iodide molecule. Sn4+ is bonded in a tetrahedral geometry to four equivalent I1- atoms. All Sn–I bond lengths are 2.71 Å. I1- is bonded in a single-bond geometry to one Sn4+ atom.

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Materials Data on WCl6 by Materials Project

WCl6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three tungsten(vi) chloride molecules. W6+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All W–Cl bond lengths are 2.31 Å. Cl1- is bonded in a single-bond geometry to one W6+ atom.

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Materials Data on CO2 by Materials Project

CO2 is Cyanogen Chloride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is zero-dimensional and consists of two carbon dioxide molecules. C4+ is bonded in a linear geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.17 Å. O2- is bonded in a single-bond geometry to one C4+ atom.

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Materials Data on NbSe2 by Materials Project

NbSe2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of four niobium selenide molecules. Nb4+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Nb–Se bond lengths are 2.41 Å. Se2- is bonded in a single-bond geometry to one Nb4+ atom.

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Materials Data on Te6H6S(Cl13O2)2 by Materials Project

(H3Te3OCl13)2SO2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two sulfur dioxide molecules and four H3Te3OCl13 clusters. In each H3Te3OCl13 cluster, there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.02 Å. The H–Cl bond length is 2.06 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.02 Å. There are two inequivalent Te5+ sites. In the first Te5+ site, Te5+ is bonded to six Cl1- atoms to form edge-sharing TeCl6 octahedra. There are a spread of Te–Cl bond distances ranging from 2.36–2.98 Å. In the second Te5+ site, Te5+ is bonded to six Cl1- atoms to form edge-sharing TeCl6 octahedra. There are a spread of Te–Cl bond distances ranging from 2.36–2.99 Å. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Te5+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one H1+ and two Te5+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Te5+ atoms. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom.

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Materials Data on B9H11 by Materials Project

B7H9(BH)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen boranediylradical molecules and four B7H9 clusters. In each B7H9 cluster, there are fourteen inequivalent B1- sites. In the first B1- site, B1- is bonded in a distorted single-bond geometry to one B1- and one H+0.82+ atom. The B–B bond length is 1.77 Å. The B–H bond length is 1.20 Å. In the second B1- site, B1- is bonded in a distorted single-bond geometry to one B1- and one H+0.82+ atom. The B–B bond length is 1.84 Å. The B–H bond length is 1.19 Å. In the third B1- site, B1- is bonded in a distorted water-like geometry to one B1- and two H+0.82+ atoms. The B–B bond length is 1.99 Å. There is one shorter (1.19 Å) and one longer (1.33 Å) B–H bond length. In the fourth B1- site, B1- is bonded in a distorted trigonal non-coplanar geometry to three H+0.82+ atoms. There are a spread of B–H bond distances ranging from 1.19–1.34 Å. In the fifth B1- site, B1- is bonded in a distorted water-like geometry to two H+0.82+ atoms. There is one shorter (1.19 Å) and one longer (1.33 Å) B–H bond length. In the sixth B1- site, B1- is bonded in a distorted water-like geometry to two H+0.82+ atoms. There is one shorter (1.19 Å) and one longer (1.31 Å) B–H bond length. In the seventh B1- site, B1- is bonded in a distorted bent 120 degrees geometry to one B1- and two H+0.82+ atoms. The B–B bond length is 1.82 Å. Both B–H bond lengths are 1.37 Å. In the eighth B1- site, B1- is bonded in a 7-coordinate geometry to seven B1- atoms. There are a spread of B–B bond distances ranging from 1.78–1.98 Å. In the ninth B1- site, B1- is bonded in a distorted single-bond geometry to one B1- and one H+0.82+ atom. The B–H bond length is 1.19 Å. In the tenth B1- site, B1- is bonded in a distorted single-bond geometry to one B1- and one H+0.82+ atom. The B–H bond length is 1.19 Å. In the eleventh B1- site, B1- is bonded in a distorted water-like geometry to one B1- and two H+0.82+ atoms. There is one shorter (1.19 Å) and one longer (1.33 Å) B–H bond length. In the twelfth B1- site, B1- is bonded in a distorted trigonal non-coplanar geometry to three H+0.82+ atoms. There are a spread of B–H bond distances ranging from 1.19–1.34 Å. In the thirteenth B1- site, B1- is bonded in a distorted water-like geometry to two H+0.82+ atoms. There is one shorter (1.19 Å) and one longer (1.33 Å) B–H bond length. In the fourteenth B1- site, B1- is bonded in a distorted water-like geometry to two H+0.82+ atoms. There is one shorter (1.19 Å) and one longer (1.31 Å) B–H bond length. There are eighteen inequivalent H+0.82+ sites. In the first H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the second H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the third H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the fourth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the fifth H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B1- atoms. In the sixth H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B1- atoms. In the seventh H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B1- atoms. In the eighth H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B1- atoms. In the ninth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the tenth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the eleventh H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the twelfth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the thirteenth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the fourteenth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the fifteenth H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B1- atoms. In the sixteenth H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B1- atoms. In the seventeenth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom. In the eighteenth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B1- atom.

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Materials Data on H2Ru6(CO)17 by Materials Project

(Ru)2(Ru2H)2(CO)17 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of thirty-four formaldehyde molecules, four ruthenium molecules, and two Ru2H clusters. In each Ru2H cluster, there are four inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.87 Å. In the second Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.85 Å. In the third Ru2+ site, Ru2+ is bonded in a 2-coordinate geometry to two H1+ atoms. Both Ru–H bond lengths are 1.97 Å. In the fourth Ru2+ site, Ru2+ is bonded in a distorted L-shaped geometry to two H1+ atoms. There is one shorter (1.92 Å) and one longer (1.95 Å) Ru–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a trigonal non-coplanar geometry to three Ru2+ atoms. In the second H1+ site, H1+ is bonded in a trigonal non-coplanar geometry to three Ru2+ atoms.

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