Materials Data on Sr2CaSbO6 by Materials Project

doi:10.17188/1652666

Title: Materials Data on Sr2CaSbO6 by Materials Project

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Abstract

Sr2CaSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.99 Å. Ca is bonded to six O atoms to form CaO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. There are a spread of Ca–O bond distances ranging from 2.31–2.33 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. All Sb–O bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom. In the second O site, O is bonded to two equivalent Sr, one Ca, and one Sb atom to form distorted corner-sharing OSr2CaSb tetrahedra. In the third O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1208881

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; Sr2CaSbO6; Ca-O-Sb-Sr

OSTI Identifier:: 1652666

DOI:: https://doi.org/10.17188/1652666

Citation Formats


                    The Materials Project. Materials Data on Sr2CaSbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652666.

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                    The Materials Project. Materials Data on Sr2CaSbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652666

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                    The Materials Project. 2020.  
"Materials Data on Sr2CaSbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652666.  https://www.osti.gov/servlets/purl/1652666. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1652666,

  title        = {Materials Data on Sr2CaSbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2CaSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.99 Å. Ca is bonded to six O atoms to form CaO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. There are a spread of Ca–O bond distances ranging from 2.31–2.33 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. All Sb–O bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom. In the second O site, O is bonded to two equivalent Sr, one Ca, and one Sb atom to form distorted corner-sharing OSr2CaSb tetrahedra. In the third O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom.},

  doi          = {10.17188/1652666},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1652666

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