Materials Data on SrLaMnO4 by Materials Project

doi:10.17188/1728781

Title: Materials Data on SrLaMnO4 by Materials Project

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Abstract

LaSrMnO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm 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 2.44–2.79 Å. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.81 Å. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mn–O bond distances ranging from 1.95–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, three equivalent La3+, and one Mn3+ atom to form distorted OSr2La3Mn octahedra that share corners with seventeen OSr2La2Mn2 octahedra, edges with eight OSr2La3Mn octahedra, and faces with four equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the second O2- site, O2- is bonded to three equivalent Sr2+, two equivalent La3+, and one Mn3+ atom to form distorted OSr3La2Mn octahedra that share corners with seventeen OSr2La2Mn2 octahedra, edges with eight OSr2La3Mn octahedra, and faces with four equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range frommore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1218183

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; SrLaMnO4; La-Mn-O-Sr

OSTI Identifier:: 1728781

DOI:: https://doi.org/10.17188/1728781

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                    The Materials Project. Materials Data on SrLaMnO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728781.

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                    The Materials Project. Materials Data on SrLaMnO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728781

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                    The Materials Project. 2020.  
"Materials Data on SrLaMnO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728781.  https://www.osti.gov/servlets/purl/1728781. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1728781,

  title        = {Materials Data on SrLaMnO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaSrMnO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm 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 2.44–2.79 Å. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.81 Å. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mn–O bond distances ranging from 1.95–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, three equivalent La3+, and one Mn3+ atom to form distorted OSr2La3Mn octahedra that share corners with seventeen OSr2La2Mn2 octahedra, edges with eight OSr2La3Mn octahedra, and faces with four equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the second O2- site, O2- is bonded to three equivalent Sr2+, two equivalent La3+, and one Mn3+ atom to form distorted OSr3La2Mn octahedra that share corners with seventeen OSr2La2Mn2 octahedra, edges with eight OSr2La3Mn octahedra, and faces with four equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 2–55°.},

  doi          = {10.17188/1728781},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1728781

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