Materials Data on CaWF4 by Materials Project

doi:10.17188/1319114

Title: Materials Data on CaWF4 by Materials Project

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Abstract

CaWF4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.41 Å) and four longer (2.42 Å) Ca–F bond lengths. W2+ is bonded in a square co-planar geometry to four F1- atoms. All W–F bond lengths are 2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ atom.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mvc-14340

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; CaWF4; Ca-F-W

OSTI Identifier:: 1319114

DOI:: https://doi.org/10.17188/1319114

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                    The Materials Project. Materials Data on CaWF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1319114.

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                    The Materials Project. Materials Data on CaWF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319114

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                    The Materials Project. 2020.  
"Materials Data on CaWF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319114.  https://www.osti.gov/servlets/purl/1319114. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1319114,

  title        = {Materials Data on CaWF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaWF4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.41 Å) and four longer (2.42 Å) Ca–F bond lengths. W2+ is bonded in a square co-planar geometry to four F1- atoms. All W–F bond lengths are 2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ atom.},

  doi          = {10.17188/1319114},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1319114

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