Materials Data on Sr4GaSn3 by Materials Project

doi:10.17188/1691072

Title: Materials Data on Sr4GaSn3 by Materials Project

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Abstract

Sr4GaSn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to one Ga and six Sn atoms. The Sr–Ga bond length is 3.47 Å. There are four shorter (3.47 Å) and two longer (3.62 Å) Sr–Sn bond lengths. In the second Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Ga and five Sn atoms. Both Sr–Ga bond lengths are 3.55 Å. All Sr–Sn bond lengths are 3.48 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to four equivalent Ga and three Sn atoms. All Sr–Ga bond lengths are 3.47 Å. There are one shorter (3.48 Å) and two longer (3.53 Å) Sr–Sn bond lengths. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.47–3.61 Å. Ga is bonded in a 9-coordinate geometry to seven Sr and two equivalent Sn atoms. Both Ga–Sn bond lengths are 2.90 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1218328

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; Sr4GaSn3; Ga-Sn-Sr

OSTI Identifier:: 1691072

DOI:: https://doi.org/10.17188/1691072

Citation Formats


                    The Materials Project. Materials Data on Sr4GaSn3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1691072.

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                    The Materials Project. Materials Data on Sr4GaSn3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1691072

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                    The Materials Project. 2019.  
"Materials Data on Sr4GaSn3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1691072.  https://www.osti.gov/servlets/purl/1691072. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1691072,

  title        = {Materials Data on Sr4GaSn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr4GaSn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to one Ga and six Sn atoms. The Sr–Ga bond length is 3.47 Å. There are four shorter (3.47 Å) and two longer (3.62 Å) Sr–Sn bond lengths. In the second Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Ga and five Sn atoms. Both Sr–Ga bond lengths are 3.55 Å. All Sr–Sn bond lengths are 3.48 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to four equivalent Ga and three Sn atoms. All Sr–Ga bond lengths are 3.47 Å. There are one shorter (3.48 Å) and two longer (3.53 Å) Sr–Sn bond lengths. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.47–3.61 Å. Ga is bonded in a 9-coordinate geometry to seven Sr and two equivalent Sn atoms. Both Ga–Sn bond lengths are 2.90 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Sr and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.97 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to seven Sr and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ga atoms.},

  doi          = {10.17188/1691072},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1691072

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