Materials Data on SnH8(ClO)4 by Materials Project

doi:10.17188/1689404

Title: Materials Data on SnH8(ClO)4 by Materials Project

Dataset
Other Related Research

Abstract

SnCl4(H2O)2SnH8(OCl)4(H2O)2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight water molecules, four SnCl4(H2O)2 clusters, and four SnH8(OCl)4 clusters. In each SnCl4(H2O)2 cluster, Sn4+ is bonded in an octahedral geometry to two O2- and four Cl1- atoms. There are one shorter (2.19 Å) and one longer (2.21 Å) Sn–O bond lengths. There are a spread of Sn–Cl bond distances ranging from 2.40–2.44 Å. There are four 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 O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. In the second O2- site, O2-more »« less

Publication Date:: Sat Jan 12 04:00:00 UTC 2019

Other Number(s):: mp-1198797

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-H-O-Sn; SnH8(ClO)4; crystal structure

OSTI Identifier:: 1689404

DOI:: https://doi.org/10.17188/1689404

Citation Formats


                    Materials Data on SnH8(ClO)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1689404.

Copy to clipboard


                    Materials Data on SnH8(ClO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689404

Copy to clipboard


                    2019.  
"Materials Data on SnH8(ClO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689404.  https://www.osti.gov/servlets/purl/1689404. Pub date:Sat Jan 12 04:00:00 UTC 2019

Copy to clipboard


                    
@article{osti_1689404,

  title        = {Materials Data on SnH8(ClO)4 by Materials Project},

  
  abstractNote = {SnCl4(H2O)2SnH8(OCl)4(H2O)2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight water molecules, four SnCl4(H2O)2 clusters, and four SnH8(OCl)4 clusters. In each SnCl4(H2O)2 cluster, Sn4+ is bonded in an octahedral geometry to two O2- and four Cl1- atoms. There are one shorter (2.19 Å) and one longer (2.21 Å) Sn–O bond lengths. There are a spread of Sn–Cl bond distances ranging from 2.40–2.44 Å. There are four 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 O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. 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. In each SnH8(OCl)4 cluster, Sn4+ is bonded in an octahedral geometry to two O2- and four Cl1- atoms. There are one shorter (2.17 Å) and one longer (2.18 Å) Sn–O bond lengths. There are one shorter (2.40 Å) and three longer (2.43 Å) Sn–Cl bond lengths. There are eight 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 single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.58 Å) H–O bond length. In the fifth 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 sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the seventh H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to three H1+ atoms. 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.},

  doi          = {10.17188/1689404},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 04:00:00 UTC 2019},

  month        = {Sat Jan 12 04:00:00 UTC 2019}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1689404

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on SnH8(CI)4 by Materials Project

Dataset

SnH8(CI)4 is Protactinium structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two stannane, tetrakis(iodomethyl)- molecules. Sn4+ is bonded in a tetrahedral geometry to four equivalent C2- atoms. All Sn–C bond lengths are 2.17 Å. C2- is bonded in a 2-coordinate geometry to one Sn4+, two H1+, and one I1- atom. There is one shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–I bond length is 2.16 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2-more »« less
Materials Data on SnH8(CO)4 by Materials Project

Dataset

SnH8(CO)4 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SnH8(CO)4 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded in an octahedral geometry to two C+0.50- and four O2- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Sn–C bond lengths. There are two shorter (2.30 Å) and two longer (2.32 Å) Sn–O bond lengths. There are three inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a distorted trigonal non-coplanar geometry to one Sn2+ and three H1+ atoms. All C–H bond lengths are 1.09more »« less
Materials Data on MnH18C4N8(ClO)4 by Materials Project

Dataset

MnC4N8H18(OCl)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two MnC4N8H18(OCl)4 clusters. Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four Cl1- atoms. Both Mn–O bond lengths are 2.16 Å. There are two shorter (2.45 Å) and two longer (2.54 Å) Mn–Cl bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.33 Å) and one longer (1.40 Å) C–N bond length. The C–O bond length is 1.26more »« less
Materials Data on NaH6RuN(ClO)4 by Materials Project

Dataset

(NaRuNH2O4Cl3)2(H2)3(HCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, six hydrogen molecules, and four NaRuNH2O4Cl3 clusters. In each NaRuNH2O4Cl3 cluster, Na1+ is bonded in a 4-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.26 Å) and one longer (3.07 Å) Na–O bond lengths. There are one shorter (2.68 Å) and one longer (2.82 Å) Na–Cl bond lengths. Ru2+ is bonded in a distorted T-shaped geometry to one H1+ and two Cl1- atoms. The Ru–H bond length is 1.56 Å. There are one shorter (2.26 Å)more »« less
Materials Data on AsHPb4(ClO)4 by Materials Project

Dataset

Pb4AsH(OCl)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to one O2- and six Cl1- atoms. The Pb–O bond length is 2.39 Å. There are a spread of Pb–Cl bond distances ranging from 2.87–3.62 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to three O2- and three Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.58 Å. There are a spread of Pb–Cl bond distances ranging from 2.95–3.53 Å. Inmore »« less

Similar Records