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Title: Materials Data on HoWClO4 by Materials Project

Abstract

HoWO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Ho–O bond distances ranging from 2.28–2.68 Å. There are one shorter (2.72 Å) and one longer (2.76 Å) Ho–Cl bond lengths. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.79–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ho3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Ho3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and one W6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Ho3+ atoms.

Publication Date:
Other Number(s):
mp-1103778
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HoWClO4; Cl-Ho-O-W
OSTI Identifier:
1727196
DOI:
https://doi.org/10.17188/1727196

Citation Formats

The Materials Project. Materials Data on HoWClO4 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1727196.
The Materials Project. Materials Data on HoWClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1727196
The Materials Project. 2018. "Materials Data on HoWClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1727196. https://www.osti.gov/servlets/purl/1727196. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1727196,
title = {Materials Data on HoWClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {HoWO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Ho–O bond distances ranging from 2.28–2.68 Å. There are one shorter (2.72 Å) and one longer (2.76 Å) Ho–Cl bond lengths. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.79–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ho3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Ho3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and one W6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Ho3+ atoms.},
doi = {10.17188/1727196},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}