Materials Data on LuB4Os by Materials Project

doi:10.17188/1314130

Title: Materials Data on LuB4Os by Materials Project

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Abstract

LuOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Lu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Lu–B bond distances ranging from 2.61–2.76 Å. Os3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.24–2.41 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. Both B–B bond lengths are 1.73 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Lu3+, four equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.73 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-973529

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; LuB4Os; B-Lu-Os

OSTI Identifier:: 1314130

DOI:: https://doi.org/10.17188/1314130

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                    The Materials Project. Materials Data on LuB4Os by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314130.

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                    The Materials Project. Materials Data on LuB4Os by Materials Project.  United States.  doi:https://doi.org/10.17188/1314130

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                    The Materials Project. 2020.  
"Materials Data on LuB4Os by Materials Project".  United States.  doi:https://doi.org/10.17188/1314130.  https://www.osti.gov/servlets/purl/1314130. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1314130,

  title        = {Materials Data on LuB4Os by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Lu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Lu–B bond distances ranging from 2.61–2.76 Å. Os3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.24–2.41 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. Both B–B bond lengths are 1.73 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Lu3+, four equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.73 Å.},

  doi          = {10.17188/1314130},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314130

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