Materials Data on Sr2La2CrNiO8 by Materials Project

doi:10.17188/1746410

Title: Materials Data on Sr2La2CrNiO8 by Materials Project

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Abstract

Sr2La2CrNiO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two 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 2.46–2.76 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 2.42–2.77 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.31–2.78 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.79 Å. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Cr–O bond distances ranging from 1.97–2.17 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedralmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1218698

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; Sr2La2CrNiO8; Cr-La-Ni-O-Sr

OSTI Identifier:: 1746410

DOI:: https://doi.org/10.17188/1746410

Citation Formats


                    The Materials Project. Materials Data on Sr2La2CrNiO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746410.

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                    The Materials Project. Materials Data on Sr2La2CrNiO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746410

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                    The Materials Project. 2020.  
"Materials Data on Sr2La2CrNiO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746410.  https://www.osti.gov/servlets/purl/1746410. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746410,

  title        = {Materials Data on Sr2La2CrNiO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2La2CrNiO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two 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 2.46–2.76 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 2.42–2.77 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.31–2.78 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.79 Å. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Cr–O bond distances ranging from 1.97–2.17 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Ni–O bond distances ranging from 1.92–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two Sr2+, two La3+, one Cr4+, and one Ni2+ atom to form a mixture of distorted corner, edge, and face-sharing OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded to two equivalent Sr2+, three La3+, and one Ni2+ atom to form distorted OSr2La3Ni octahedra that share corners with seventeen OSr2La3Ni octahedra, edges with eight OSr3La2Cr octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the third O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Cr4+ atom to form distorted OSr3La2Cr octahedra that share corners with seventeen OSr3La2Cr octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, three La3+, and one Cr4+ atom to form distorted OSr2La3Cr octahedra that share corners with seventeen OSr3La2Cr octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fifth O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Ni2+ atom to form distorted OSr3La2Ni octahedra that share corners with seventeen OSr2La3Ni octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–54°.},

  doi          = {10.17188/1746410},

  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/10.17188/1746410

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