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At least 775 records · Page 43
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DOE OSTI2020

Materials Data on SiCl4 by Materials Project

SiCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetrachlorosilane molecules. Si4+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.03 Å) and two longer (2.04 Å) Si–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si(PH2)4 by Materials Project

Si(PH2)4 is BCT5-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 214424-22-3 molecules. Si4- is bonded in a tetrahedral geometry to four P1- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) Si–P bond lengths. There are four inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the second P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the third P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the fourth P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnCl4 by Materials Project

SnCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tin tetrachloride molecules. Sn4+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Sn–Cl bond lengths are 2.32 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeCl4 by Materials Project

GeCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four germanium tetrachloride molecules. Ge4+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are one shorter (2.13 Å) and three longer (2.14 Å) Ge–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ge4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ge4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ge4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiCl4 by Materials Project

TiCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four titanium tetrachloride molecules. Ti4+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.18 Å) and one longer (2.19 Å) Ti–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RuO4 by Materials Project

RuO4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ruthenium(iv) hydroxide molecules. Ru is bonded in a tetrahedral geometry to four O atoms. All Ru–O bond lengths are 1.71 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ru atom. In the second O site, O is bonded in a single-bond geometry to one Ru atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CSCl2 by Materials Project

CSCl2 is Hg_xSn-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two 2,2,4,4-tetrachloro-1,3-dithietane molecules. C4+ is bonded to two equivalent S2- and two Cl1- atoms to form distorted edge-sharing CS2Cl2 tetrahedra. Both C–S bond lengths are 1.82 Å. Both C–Cl bond lengths are 1.79 Å. S2- is bonded in an L-shaped geometry to two equivalent C4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WF6 by Materials Project

WF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tungsten hexafluoride molecules. W6+ is bonded in an octahedral geometry to six F1- atoms. All W–F bond lengths are 1.88 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoF6 by Materials Project

MoF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four molybdenum hexafluoride molecules. Mo6+ is bonded in an octahedral geometry to six F1- atoms. All Mo–F bond lengths are 1.87 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Mo6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Mo6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Mo6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Mo6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfI4 by Materials Project

HfI4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight hafnium iodide molecules. Hf4+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.67 Å) and three longer (2.68 Å) Hf–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeBr4 by Materials Project

GeBr4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four germanium tetrabromide molecules. Ge4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Ge–Br bond lengths are 2.31 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiBr4 by Materials Project

TiBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight tibr4 molecules. Ti4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Ti–Br bond lengths are 2.34 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ti4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PBr2N by Materials Project

PNBr2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two 2,2,4,4,6,6,8,8-octabromo-1,3,5,7,2,4,6,8-tetrazatetraphosphocane-2,4,6,8-tetraium molecules. P5+ is bonded to two equivalent N3- and two Br1- atoms to form corner-sharing PBr2N2 tetrahedra. Both P–N bond lengths are 1.59 Å. Both P–Br bond lengths are 2.21 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbCl4 by Materials Project

PbCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four lead tetrachloride molecules. Pb4+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Pb–Cl bond lengths are 2.42 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pb4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pb4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VCl4 by Materials Project

VCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four vanadium(iv) chloride molecules. V4+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.14 Å) and one longer (2.15 Å) V–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PNCl2 by Materials Project

PNCl2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two akos000271203 molecules. P5+ is bonded to two equivalent N3- and two Cl1- atoms to form corner-sharing PN2Cl2 tetrahedra. Both P–N bond lengths are 1.58 Å. Both P–Cl bond lengths are 2.02 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeBr4 by Materials Project

GeBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight germanium tetrabromide molecules. Ge4+ is bonded in a tetrahedral geometry to four Br1- atoms. There are one shorter (2.30 Å) and three longer (2.31 Å) Ge–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiBr4 by Materials Project

SiBr4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetrabromosilane molecules. Si4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Si–Br bond lengths are 2.21 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom.

36 MATERIALS SCIENCE↗