Materials Data on Ho2CrSbO7 by Materials Project

doi:10.17188/1746328

Title: Materials Data on Ho2CrSbO7 by Materials Project

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Abstract

Ho2CrSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.49 Å. In the second Ho3+ site, Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.25–2.50 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent CrO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 51–55°. All Cr–O bond lengths are 2.04 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are four shorter (1.99 Å) and two longer (2.02 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ atoms to form OHo4 tetrahedra that share corners with sixteen OHo4 tetrahedra and edges with six OHo2Cr2more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1224219

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; Ho2CrSbO7; Cr-Ho-O-Sb

OSTI Identifier:: 1746328

DOI:: https://doi.org/10.17188/1746328

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                    The Materials Project. Materials Data on Ho2CrSbO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746328.

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                    The Materials Project. Materials Data on Ho2CrSbO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746328

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                    The Materials Project. 2020.  
"Materials Data on Ho2CrSbO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746328.  https://www.osti.gov/servlets/purl/1746328. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746328,

  title        = {Materials Data on Ho2CrSbO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho2CrSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.49 Å. In the second Ho3+ site, Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.25–2.50 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent CrO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 51–55°. All Cr–O bond lengths are 2.04 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are four shorter (1.99 Å) and two longer (2.02 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ atoms to form OHo4 tetrahedra that share corners with sixteen OHo4 tetrahedra and edges with six OHo2Cr2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Cr3+ atoms to form a mixture of distorted corner and edge-sharing OHo2Cr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Sb5+ atoms to form a mixture of distorted corner and edge-sharing OHo2Sb2 tetrahedra. In the fourth O2- site, O2- is bonded to two Ho3+, one Cr3+, and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OHo2CrSb tetrahedra.},

  doi          = {10.17188/1746328},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746328

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