Materials Data on SnH4C2NO4F by Materials Project

doi:10.17188/1183921

Title: Materials Data on SnH4C2NO4F by Materials Project

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Abstract

NH4SnC2O4F crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonium molecules and two SnC2O4F ribbons oriented in the (1, 0, 0) direction. In each SnC2O4F ribbon, Sn2+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are two shorter (2.29 Å) and two longer (2.67 Å) Sn–O bond lengths. The Sn–F bond length is 2.11 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the fourth O2-more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-561270

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; SnH4C2NO4F; C-F-H-N-O-Sn

OSTI Identifier:: 1183921

DOI:: https://doi.org/10.17188/1183921

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                    The Materials Project. Materials Data on SnH4C2NO4F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1183921.

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                    The Materials Project. Materials Data on SnH4C2NO4F by Materials Project.  United States.  doi:https://doi.org/10.17188/1183921

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                    The Materials Project. 2020.  
"Materials Data on SnH4C2NO4F by Materials Project".  United States.  doi:https://doi.org/10.17188/1183921.  https://www.osti.gov/servlets/purl/1183921. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1183921,

  title        = {Materials Data on SnH4C2NO4F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NH4SnC2O4F crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonium molecules and two SnC2O4F ribbons oriented in the (1, 0, 0) direction. In each SnC2O4F ribbon, Sn2+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are two shorter (2.29 Å) and two longer (2.67 Å) Sn–O bond lengths. The Sn–F bond length is 2.11 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn2+ and one C3+ atom. F1- is bonded in a single-bond geometry to one Sn2+ atom.},

  doi          = {10.17188/1183921},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1183921

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