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Title: Materials Data on HoCrGeO5 by Materials Project

Abstract

HoCrGeO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.27–2.59 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.98–2.01 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Ge–O bond distances ranging from 1.76–1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+, one Cr3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Cr3+ atoms to form a mixture of distorted edge and corner-sharing OHo2Cr2more » trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Ge4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1212155
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; HoCrGeO5; Cr-Ge-Ho-O
OSTI Identifier:
1672919
DOI:
https://doi.org/10.17188/1672919

Citation Formats

The Materials Project. Materials Data on HoCrGeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672919.
The Materials Project. Materials Data on HoCrGeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1672919
The Materials Project. 2020. "Materials Data on HoCrGeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1672919. https://www.osti.gov/servlets/purl/1672919. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672919,
title = {Materials Data on HoCrGeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {HoCrGeO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.27–2.59 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.98–2.01 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Ge–O bond distances ranging from 1.76–1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+, one Cr3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Cr3+ atoms to form a mixture of distorted edge and corner-sharing OHo2Cr2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1672919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}