Materials Data on Ho9B4O19 by Materials Project

doi:10.17188/1290881

Title: Materials Data on Ho9B4O19 by Materials Project

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Abstract

Ho9B4O19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are nine inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.35 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.56 Å. In the third Ho site, Ho is bonded to seven O atoms to form distorted edge-sharing HoO7 pentagonal bipyramids. There are a spread of Ho–O bond distances ranging from 2.20–2.52 Å. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.58 Å. In the fifth Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.58 Å. In the sixth Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.16–2.62 Å. In the seventh Ho site, Ho is bonded in a 7-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-757752

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; Ho9B4O19; B-Ho-O

OSTI Identifier:: 1290881

DOI:: https://doi.org/10.17188/1290881

Citation Formats


                    The Materials Project. Materials Data on Ho9B4O19 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290881.

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                    The Materials Project. Materials Data on Ho9B4O19 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290881

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                    The Materials Project. 2020.  
"Materials Data on Ho9B4O19 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290881.  https://www.osti.gov/servlets/purl/1290881. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1290881,

  title        = {Materials Data on Ho9B4O19 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho9B4O19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are nine inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.35 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.56 Å. In the third Ho site, Ho is bonded to seven O atoms to form distorted edge-sharing HoO7 pentagonal bipyramids. There are a spread of Ho–O bond distances ranging from 2.20–2.52 Å. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.58 Å. In the fifth Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.58 Å. In the sixth Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.16–2.62 Å. In the seventh Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.17–2.58 Å. In the eighth Ho site, Ho is bonded to seven O atoms to form distorted edge-sharing HoO7 pentagonal bipyramids. There are a spread of Ho–O bond distances ranging from 2.26–2.50 Å. In the ninth Ho site, Ho is bonded to seven O atoms to form distorted edge-sharing HoO7 pentagonal bipyramids. There are a spread of Ho–O bond distances ranging from 2.26–2.50 Å. There are four inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.42 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. In the fourth B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Ho and one B atom. In the second O site, O is bonded in a distorted single-bond geometry to three Ho and one B atom. In the third O site, O is bonded to four Ho atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the fourth O site, O is bonded to four Ho atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the fifth O site, O is bonded in a 1-coordinate geometry to three Ho and one B atom. In the sixth O site, O is bonded in a 1-coordinate geometry to three Ho and one B atom. In the seventh O site, O is bonded to four Ho atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the eighth O site, O is bonded to four Ho atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the ninth O site, O is bonded in a 1-coordinate geometry to three Ho and one B atom. In the tenth O site, O is bonded in a 1-coordinate geometry to three Ho and one B atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to three Ho and one B atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to three Ho and one B atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to two Ho and one B atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to three Ho and one B atom. In the fifteenth O site, O is bonded to four Ho atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the sixteenth O site, O is bonded to four Ho atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the seventeenth O site, O is bonded to four Ho atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the eighteenth O site, O is bonded to four Ho atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the nineteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ho and two B atoms.},

  doi          = {10.17188/1290881},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1290881

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