Materials Data on Ca2SnWO6 by Materials Project

doi:10.17188/1321823

Title: Materials Data on Ca2SnWO6 by Materials Project

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Abstract

Ca2WSnO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to one W6+ and three O2- atoms. The Ca–W bond length is 2.43 Å. There are a spread of Ca–O bond distances ranging from 1.88–2.63 Å. In the second Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to one W6+ and five O2- atoms. The Ca–W bond length is 2.58 Å. There are a spread of Ca–O bond distances ranging from 2.11–2.88 Å. W6+ is bonded in a 4-coordinate geometry to two Ca2+ and four O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.26 Å. Sn2+ is bonded in a bent 150 degrees geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 1.20–2.70 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one W6+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Sn2+ atom. In the third O2- site, O2- is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Sun Feb 09 00:00:00 EST 2014

Other Number(s):: mvc-5966

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; Ca2SnWO6; Ca-O-Sn-W

OSTI Identifier:: 1321823

DOI:: https://doi.org/10.17188/1321823

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                    The Materials Project. Materials Data on Ca2SnWO6 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1321823.

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                    The Materials Project. Materials Data on Ca2SnWO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1321823

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                    The Materials Project. 2014.  
"Materials Data on Ca2SnWO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1321823.  https://www.osti.gov/servlets/purl/1321823. Pub date:Sun Feb 09 00:00:00 EST 2014

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@article{osti_1321823,

  title        = {Materials Data on Ca2SnWO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca2WSnO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to one W6+ and three O2- atoms. The Ca–W bond length is 2.43 Å. There are a spread of Ca–O bond distances ranging from 1.88–2.63 Å. In the second Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to one W6+ and five O2- atoms. The Ca–W bond length is 2.58 Å. There are a spread of Ca–O bond distances ranging from 2.11–2.88 Å. W6+ is bonded in a 4-coordinate geometry to two Ca2+ and four O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.26 Å. Sn2+ is bonded in a bent 150 degrees geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 1.20–2.70 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one W6+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Sn2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Ca2+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one W6+, and one Sn2+ atom. In the sixth O2- site, O2- is bonded in an L-shaped geometry to two Ca2+ atoms.},

  doi          = {10.17188/1321823},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Feb 09 00:00:00 EST 2014},

  month        = {Sun Feb 09 00:00:00 EST 2014}

}

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DOI: https://doi.org/10.17188/1321823

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