Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project

doi:10.17188/1642549

Title: Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project

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Abstract

Sr2CuMn2As2O2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two equivalent As3- and four equivalent O2- atoms. Both Mn–As bond lengths are 3.17 Å. All Mn–O bond lengths are 2.06 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent As3- atoms tomore »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1218747

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; Sr2Mn2Cu(AsO)2; As-Cu-Mn-O-Sr

OSTI Identifier:: 1642549

DOI:: https://doi.org/10.17188/1642549

Citation Formats


                    The Materials Project. Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1642549.

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                    The Materials Project. Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1642549

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                    The Materials Project. 2019.  
"Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1642549.  https://www.osti.gov/servlets/purl/1642549. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1642549,

  title        = {Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2CuMn2As2O2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two equivalent As3- and four equivalent O2- atoms. Both Mn–As bond lengths are 3.17 Å. All Mn–O bond lengths are 2.06 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with four equivalent MnAs4 tetrahedra and edges with four equivalent CuAs4 tetrahedra. All Mn–As bond lengths are 2.58 Å. Cu2+ is bonded to four equivalent As3- atoms to form CuAs4 tetrahedra that share corners with four equivalent CuAs4 tetrahedra and edges with four equivalent MnAs4 tetrahedra. All Cu–As bond lengths are 2.58 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sr2+, three Mn2+, and two equivalent Cu2+ atoms. O2- is bonded to four Sr2+ and two equivalent Mn2+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1642549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1642549

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