Materials Data on Sr3LaMnCrO8 by Materials Project

doi:10.17188/1752576

Title: Materials Data on Sr3LaMnCrO8 by Materials Project

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Abstract

Sr3LaCrMnO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.77 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.77 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.76 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.77 Å. Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Cr–O bond distances ranging from 1.99–2.09 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Mn–O bondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1218443

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; Sr3LaMnCrO8; Cr-La-Mn-O-Sr

OSTI Identifier:: 1752576

DOI:: https://doi.org/10.17188/1752576

Citation Formats


                    The Materials Project. Materials Data on Sr3LaMnCrO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752576.

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                    The Materials Project. Materials Data on Sr3LaMnCrO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752576

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                    The Materials Project. 2020.  
"Materials Data on Sr3LaMnCrO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752576.  https://www.osti.gov/servlets/purl/1752576. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1752576,

  title        = {Materials Data on Sr3LaMnCrO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3LaCrMnO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.77 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.77 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.76 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.77 Å. Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Cr–O bond distances ranging from 1.99–2.09 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Mn–O bond distances ranging from 1.91–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Mn2+ atom to form distorted OSr3La2Mn octahedra that share corners with seventeen OSr3LaMnCr octahedra, edges with eight OSr3La2Cr octahedra, and faces with four equivalent OSr3LaMnCr octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the second O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Cr5+ atom to form distorted OSr3La2Cr octahedra that share corners with seventeen OSr3LaMnCr octahedra, edges with eight OSr3La2Mn octahedra, and faces with four equivalent OSr3LaMnCr octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to four Sr2+, one La3+, and one Cr5+ atom to form distorted OSr4LaCr octahedra that share corners with seventeen OSr3LaMnCr octahedra, edges with eight OSr3La2Mn octahedra, and faces with four equivalent OSr3LaMnCr octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the fourth O2- site, O2- is bonded to five Sr2+ and one Mn2+ atom to form distorted OSr5Mn octahedra that share corners with seventeen OSr3LaMnCr octahedra, edges with eight OSr3La2Mn octahedra, and faces with four equivalent OSr3LaMnCr octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fifth O2- site, O2- is bonded to three Sr2+, one La3+, one Cr5+, and one Mn2+ atom to form distorted OSr3LaMnCr octahedra that share corners with fourteen OSr3La2Mn octahedra, edges with two equivalent OSr3LaMnCr octahedra, and faces with eight OSr3La2Mn octahedra. The corner-sharing octahedra tilt angles range from 4–56°.},

  doi          = {10.17188/1752576},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752576

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