Materials Data on Sr4As2O by Materials Project

doi:10.17188/1308023

Title: Materials Data on Sr4As2O by Materials Project

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Abstract

Sr4As2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are one shorter (3.13 Å) and four longer (3.51 Å) Sr–As bond lengths. The Sr–O bond length is 2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Sr–As bond lengths are 3.31 Å. Both Sr–O bond lengths are 2.44 Å. As3- is bonded in a 9-coordinate geometry to nine Sr2+ atoms. O2- is bonded to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-8299

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; Sr4As2O; As-O-Sr

OSTI Identifier:: 1308023

DOI:: https://doi.org/10.17188/1308023

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                    The Materials Project. Materials Data on Sr4As2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308023.

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                    The Materials Project. Materials Data on Sr4As2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1308023

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                    The Materials Project. 2020.  
"Materials Data on Sr4As2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1308023.  https://www.osti.gov/servlets/purl/1308023. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1308023,

  title        = {Materials Data on Sr4As2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr4As2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are one shorter (3.13 Å) and four longer (3.51 Å) Sr–As bond lengths. The Sr–O bond length is 2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Sr–As bond lengths are 3.31 Å. Both Sr–O bond lengths are 2.44 Å. As3- is bonded in a 9-coordinate geometry to nine Sr2+ atoms. O2- is bonded to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1308023},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1308023

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