Materials Data on Ho2WO6 by Materials Project
Abstract
Ho2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.78 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.44 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.74 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.21–2.60 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.87–2.15 Å. In the second W6+ site, W6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.92–2.02 Å. There are twelve inequivalent O2- sites. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-772638
- 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; Ho2WO6; Ho-O-W
- OSTI Identifier:
- 1301393
- DOI:
- https://doi.org/10.17188/1301393
Citation Formats
The Materials Project. Materials Data on Ho2WO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301393.
The Materials Project. Materials Data on Ho2WO6 by Materials Project. United States. doi:https://doi.org/10.17188/1301393
The Materials Project. 2020.
"Materials Data on Ho2WO6 by Materials Project". United States. doi:https://doi.org/10.17188/1301393. https://www.osti.gov/servlets/purl/1301393. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1301393,
title = {Materials Data on Ho2WO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.78 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.44 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.74 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.21–2.60 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.87–2.15 Å. In the second W6+ site, W6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.92–2.02 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ho3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ho3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a distorted tetrahedral geometry to three Ho3+ and one W6+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ho3+ and one W6+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to three Ho3+ and one W6+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one W6+ atom.},
doi = {10.17188/1301393},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}