Materials Data on Sr3(SnAs2)2 by Materials Project

doi:10.17188/1686929

Title: Materials Data on Sr3(SnAs2)2 by Materials Project

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Abstract

Sr3Sn2As4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 5–9°. There are a spread of Sr–As bond distances ranging from 3.21–3.32 Å. In the second Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 3–9°. There are a spread of Sr–As bond distances ranging from 3.22–3.36 Å. In the third Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of Sr–As bond distances ranging from 3.16–3.36 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Sn–As bond distances ranging from 2.60–2.71 Å. In the second Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spreadmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1195093

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; Sr3(SnAs2)2; As-Sn-Sr

OSTI Identifier:: 1686929

DOI:: https://doi.org/10.17188/1686929

Citation Formats


                    The Materials Project. Materials Data on Sr3(SnAs2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686929.

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                    The Materials Project. Materials Data on Sr3(SnAs2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686929

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                    The Materials Project. 2020.  
"Materials Data on Sr3(SnAs2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686929.  https://www.osti.gov/servlets/purl/1686929. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1686929,

  title        = {Materials Data on Sr3(SnAs2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3Sn2As4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 5–9°. There are a spread of Sr–As bond distances ranging from 3.21–3.32 Å. In the second Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 3–9°. There are a spread of Sr–As bond distances ranging from 3.22–3.36 Å. In the third Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of Sr–As bond distances ranging from 3.16–3.36 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Sn–As bond distances ranging from 2.60–2.71 Å. In the second Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Sn–As bond distances ranging from 2.66–2.69 Å. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded to four Sr2+ and two equivalent Sn3+ atoms to form a mixture of corner and edge-sharing AsSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 6–88°. In the second As3- site, As3- is bonded to five Sr2+ and one Sn3+ atom to form a mixture of corner and edge-sharing AsSr5Sn octahedra. The corner-sharing octahedra tilt angles range from 3–82°. In the third As3- site, As3- is bonded to four Sr2+ and two Sn3+ atoms to form a mixture of corner and edge-sharing AsSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 5–89°. In the fourth As3- site, As3- is bonded to five Sr2+ and one Sn3+ atom to form a mixture of corner and edge-sharing AsSr5Sn octahedra. The corner-sharing octahedra tilt angles range from 3–88°.},

  doi          = {10.17188/1686929},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1686929

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