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6 records
All sourcesNASA NTRSDOE OSTI
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 SnH10Cl4O5 by Materials Project

SnCl4(H2O)2(H2O)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve water molecules and four SnCl4(H2O)2 clusters. In each SnCl4(H2O)2 cluster, Sn4+ is bonded in an octahedral geometry to two equivalent O2- and four Cl1- atoms. Both Sn–O bond lengths are 2.16 Å. All Sn–Cl bond lengths are 2.43 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 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and two H1+ atoms. There are two 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnN2Cl4O by Materials Project

N2(SnCl4)2(NO)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is one-dimensional and consists of four ammonia molecules; four nitroxyl molecules; and two SnCl4 ribbons oriented in the (1, 0, 0) direction. In each SnCl4 ribbon, Sn4+ is bonded to six Cl1- atoms to form edge-sharing SnCl6 octahedra. There are a spread of Sn–Cl bond distances ranging from 2.38–2.63 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 distorted L-shaped geometry to two equivalent Sn4+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Sn4+ atoms. 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 Sn2W3Cl14 by Materials Project

W3Sn2Cl14 crystallizes in the hexagonal P6_3 space group. The structure is two-dimensional and consists of two W3Sn2Cl14 sheets oriented in the (0, 0, 1) direction. W+3.33+ is bonded to six Cl1- atoms to form WCl6 octahedra that share a cornercorner with one SnCl4 trigonal pyramid and edges with two equivalent WCl6 octahedra. There are a spread of W–Cl bond distances ranging from 2.41–2.50 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are three shorter (2.72 Å) and three longer (3.13 Å) Sn–Cl bond lengths. In the second Sn2+ site, Sn2+ is bonded to four Cl1- atoms to form distorted SnCl4 trigonal pyramids that share corners with three equivalent WCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are one shorter (2.42 Å) and three longer (3.06 Å) Sn–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn2+ atom. In the second Cl1- site, Cl1- is bonded in a 12-coordinate geometry to three equivalent W+3.33+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.33+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one W+3.33+ and one Sn2+ atom. In the fifth Cl1- site, Cl1- is bonded in a water-like geometry to one W+3.33+ and one Sn2+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one W+3.33+ and one Sn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnS8(N2Cl)4 by Materials Project

SnCl4(NS)8 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of eight 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four tin tetrachloride molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnCNCl3 by Materials Project

SnCl2CNCl crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of two cyanogen chloride molecules and one SnCl2 sheet oriented in the (0, 1, 0) direction. In the SnCl2 sheet, Sn2+ is bonded to four Cl1- atoms to form distorted corner-sharing SnCl4 tetrahedra. There are a spread of Sn–Cl bond distances ranging from 2.59–2.98 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗