Materials Data on Ho3B7Mo by Materials Project

doi:10.17188/1717098

Title: Materials Data on Ho3B7Mo by Materials Project

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Abstract

Ho3MoB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.63–3.38 Å. In the second Ho3+ site, Ho3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.64–2.74 Å. Mo6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.37 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Mo6+, and three B+2.14- atoms. There are a spread of B–B bond distances ranging from 1.81–1.91 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Ho3+ and three B+2.14- atoms. There is one shorter (1.83 Å) and two longer (1.97 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Ho3+, two equivalent Mo6+, and three B+2.14- atoms. The B–B bond length is 1.95 Å.more »« less

Publication Date:: 2020-04-29

Other Number(s):: mp-1212287

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Ho-Mo; Ho3B7Mo; crystal structure

OSTI Identifier:: 1717098

DOI:: https://doi.org/10.17188/1717098

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                    Materials Data on Ho3B7Mo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717098.

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                    Materials Data on Ho3B7Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1717098

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                    2020.  
"Materials Data on Ho3B7Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1717098.  https://www.osti.gov/servlets/purl/1717098. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1717098,

  title        = {Materials Data on Ho3B7Mo by Materials Project},

  
  abstractNote = {Ho3MoB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.63–3.38 Å. In the second Ho3+ site, Ho3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.64–2.74 Å. Mo6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.37 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Mo6+, and three B+2.14- atoms. There are a spread of B–B bond distances ranging from 1.81–1.91 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Ho3+ and three B+2.14- atoms. There is one shorter (1.83 Å) and two longer (1.97 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Ho3+, two equivalent Mo6+, and three B+2.14- atoms. The B–B bond length is 1.95 Å. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Ho3+, two equivalent Mo6+, and two equivalent B+2.14- atoms.},

  doi          = {10.17188/1717098},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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