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Title: Materials Data on LaHoSi2O7 by Materials Project

Abstract

HoLaSi2O7 crystallizes in the monoclinic P2_1/c 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 2.21–2.77 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.93 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ho3+, two equivalent La3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ho3+, two equivalent La3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ho3+, one La3+, and one Si4+ atom. In the fourth O2- site, O2- ismore » bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ho3+, one La3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ho3+, one La3+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+, one La3+, and one Si4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1222979
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; LaHoSi2O7; Ho-La-O-Si
OSTI Identifier:
1741785
DOI:
https://doi.org/10.17188/1741785

Citation Formats

The Materials Project. Materials Data on LaHoSi2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741785.
The Materials Project. Materials Data on LaHoSi2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1741785
The Materials Project. 2020. "Materials Data on LaHoSi2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1741785. https://www.osti.gov/servlets/purl/1741785. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1741785,
title = {Materials Data on LaHoSi2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {HoLaSi2O7 crystallizes in the monoclinic P2_1/c 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 2.21–2.77 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.93 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ho3+, two equivalent La3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ho3+, two equivalent La3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ho3+, one La3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ho3+, one La3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ho3+, one La3+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+, one La3+, and one Si4+ atom.},
doi = {10.17188/1741785},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}