Materials Data on Sr2CrO4 by Materials Project

doi:10.17188/1193560

Title: Materials Data on Sr2CrO4 by Materials Project

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Abstract

Sr2CrO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.71 Å. Cr4+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.92 Å) and two longer (2.03 Å) Cr–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Cr4+ atoms. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Cr4+ atom to form a mixture of distorted corner and edge-sharing OSr5Cr octahedra. The corner-sharing octahedra tilt angles range from 0–6°.

Authors:: The Materials Project

Publication Date:: Sat Feb 15 00:00:00 EST 2014

Other Number(s):: mp-18854

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; Sr2CrO4; Cr-O-Sr

OSTI Identifier:: 1193560

DOI:: https://doi.org/10.17188/1193560

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                    The Materials Project. Materials Data on Sr2CrO4 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1193560.

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                    The Materials Project. Materials Data on Sr2CrO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193560

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                    The Materials Project. 2014.  
"Materials Data on Sr2CrO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193560.  https://www.osti.gov/servlets/purl/1193560. Pub date:Sat Feb 15 00:00:00 EST 2014

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@article{osti_1193560,

  title        = {Materials Data on Sr2CrO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2CrO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.71 Å. Cr4+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.92 Å) and two longer (2.03 Å) Cr–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Cr4+ atoms. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Cr4+ atom to form a mixture of distorted corner and edge-sharing OSr5Cr octahedra. The corner-sharing octahedra tilt angles range from 0–6°.},

  doi          = {10.17188/1193560},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Feb 15 00:00:00 EST 2014},

  month        = {Sat Feb 15 00:00:00 EST 2014}

}

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DOI: https://doi.org/10.17188/1193560

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