Materials Data on SrWN3 by Materials Project

doi:10.17188/1316918

Title: Materials Data on SrWN3 by Materials Project

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Abstract

SrWN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.60–3.34 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five N+2.67- atoms to form distorted corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.80–2.13 Å. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of W–N bond distances ranging from 1.80–2.07 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent W6+ atoms. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two W6+, and one N+2.67- atom. The N–N bond length is 1.45 Å. In the third N+2.67- site, N+2.67-more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-989625

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; SrWN3; N-Sr-W

OSTI Identifier:: 1316918

DOI:: https://doi.org/10.17188/1316918

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                    The Materials Project. Materials Data on SrWN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316918.

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                    The Materials Project. Materials Data on SrWN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316918

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                    The Materials Project. 2020.  
"Materials Data on SrWN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316918.  https://www.osti.gov/servlets/purl/1316918. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1316918,

  title        = {Materials Data on SrWN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrWN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.60–3.34 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five N+2.67- atoms to form distorted corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.80–2.13 Å. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of W–N bond distances ranging from 1.80–2.07 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent W6+ atoms. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two W6+, and one N+2.67- atom. The N–N bond length is 1.45 Å. In the third N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to four Sr2+ and one W6+ atom. In the fourth N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two Sr2+, two equivalent W6+, and one N+2.67- atom. In the fifth N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to four Sr2+ and one W6+ atom. In the sixth N+2.67- site, N+2.67- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+ and two W6+ atoms.},

  doi          = {10.17188/1316918},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316918

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