Materials Data on La4Mn3Sb8 by Materials Project

doi:10.17188/1741747

Title: Materials Data on La4Mn3Sb8 by Materials Project

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Abstract

La4Mn3Sb8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are a spread of La–Sb bond distances ranging from 3.34–3.43 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are a spread of La–Sb bond distances ranging from 3.31–3.40 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four equivalent Sb+2.25- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.80 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent Sb+2.25- atoms to form corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.63 Å. There are four inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four La3+ and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.13 Å. In the second Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four La3+ and four equivalent Sb+2.25- atoms. In the third Sb+2.25- site, Sb+2.25- is bonded in a 2-coordinate geometrymore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1223277

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; La4Mn3Sb8; La-Mn-Sb

OSTI Identifier:: 1741747

DOI:: https://doi.org/10.17188/1741747

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                    The Materials Project. Materials Data on La4Mn3Sb8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741747.

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                    The Materials Project. Materials Data on La4Mn3Sb8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741747

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                    The Materials Project. 2020.  
"Materials Data on La4Mn3Sb8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741747.  https://www.osti.gov/servlets/purl/1741747. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1741747,

  title        = {Materials Data on La4Mn3Sb8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La4Mn3Sb8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are a spread of La–Sb bond distances ranging from 3.34–3.43 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are a spread of La–Sb bond distances ranging from 3.31–3.40 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four equivalent Sb+2.25- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.80 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent Sb+2.25- atoms to form corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.63 Å. There are four inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four La3+ and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.13 Å. In the second Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four La3+ and four equivalent Sb+2.25- atoms. In the third Sb+2.25- site, Sb+2.25- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Mn2+ atoms. In the fourth Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Mn2+ atoms.},

  doi          = {10.17188/1741747},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1741747

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