Materials Data on SbH6C2I by Materials Project

doi:10.17188/1276987

Title: Materials Data on SbH6C2I by Materials Project

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Abstract

C2SbH6I crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight schembl11752952 molecules. there are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sb3+ and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sb3+ and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. Sb3+ is bonded in a 2-coordinate geometry to two C4- and one I1- atom. The Sb–I bond length is 2.86 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C4-more »« less

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-582587

DOE Contract Number:: AC02-05CH11231; EDCBEE

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

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

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; SbH6C2I; C-H-I-Sb

OSTI Identifier:: 1276987

DOI:: https://doi.org/10.17188/1276987

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                    The Materials Project. Materials Data on SbH6C2I by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1276987.

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                    The Materials Project. Materials Data on SbH6C2I by Materials Project.  United States.  doi:https://doi.org/10.17188/1276987

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                    The Materials Project. 2017.  
"Materials Data on SbH6C2I by Materials Project".  United States.  doi:https://doi.org/10.17188/1276987.  https://www.osti.gov/servlets/purl/1276987. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1276987,

  title        = {Materials Data on SbH6C2I by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C2SbH6I crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight schembl11752952 molecules. there are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sb3+ and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sb3+ and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. Sb3+ is bonded in a 2-coordinate geometry to two C4- and one I1- atom. The Sb–I bond length is 2.86 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. I1- is bonded in a single-bond geometry to one Sb3+ atom.},

  doi          = {10.17188/1276987},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1276987

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