Materials Data on La3(OsO5)2 by Materials Project

doi:10.17188/1201535

Title: Materials Data on La3(OsO5)2 by Materials Project

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Abstract

La3Os2O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.60 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.72 Å. Os+5.50+ is bonded to six O2- atoms to form edge-sharing OsO6 octahedra. There are a spread of Os–O bond distances ranging from 1.93–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent La3+ and one Os+5.50+ atom. In the second O2- site, O2- is bonded to three La3+ and one Os+5.50+ atom to form a mixture of edge and corner-sharing OLa3Os tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Os+5.50+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Os+5.50+ atoms.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-27330

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; La3(OsO5)2; La-O-Os

OSTI Identifier:: 1201535

DOI:: https://doi.org/10.17188/1201535

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                    The Materials Project. Materials Data on La3(OsO5)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1201535.

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                    The Materials Project. Materials Data on La3(OsO5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201535

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                    The Materials Project. 2017.  
"Materials Data on La3(OsO5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201535.  https://www.osti.gov/servlets/purl/1201535. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1201535,

  title        = {Materials Data on La3(OsO5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3Os2O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.60 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.72 Å. Os+5.50+ is bonded to six O2- atoms to form edge-sharing OsO6 octahedra. There are a spread of Os–O bond distances ranging from 1.93–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent La3+ and one Os+5.50+ atom. In the second O2- site, O2- is bonded to three La3+ and one Os+5.50+ atom to form a mixture of edge and corner-sharing OLa3Os tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Os+5.50+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Os+5.50+ atoms.},

  doi          = {10.17188/1201535},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1201535

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