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Title: Materials Data on Lu2SiO5 by Materials Project

Abstract

Lu2SiO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.17–2.74 Å. In the second Lu3+ site, Lu3+ is bonded to seven O2- atoms to form LuO7 pentagonal bipyramids that share corners with four equivalent SiO4 tetrahedra, edges with three equivalent LuO7 pentagonal bipyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Lu–O bond distances ranging from 2.20–2.38 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent LuO7 pentagonal bipyramids and an edgeedge with one LuO7 pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Lu3+ atoms to form a mixture of edge and corner-sharing OLu4 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalentmore » Lu3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Lu3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Si4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-18195
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; Lu2SiO5; Lu-O-Si
OSTI Identifier:
1192964
DOI:
https://doi.org/10.17188/1192964

Citation Formats

The Materials Project. Materials Data on Lu2SiO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192964.
The Materials Project. Materials Data on Lu2SiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1192964
The Materials Project. 2020. "Materials Data on Lu2SiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1192964. https://www.osti.gov/servlets/purl/1192964. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192964,
title = {Materials Data on Lu2SiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2SiO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.17–2.74 Å. In the second Lu3+ site, Lu3+ is bonded to seven O2- atoms to form LuO7 pentagonal bipyramids that share corners with four equivalent SiO4 tetrahedra, edges with three equivalent LuO7 pentagonal bipyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Lu–O bond distances ranging from 2.20–2.38 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent LuO7 pentagonal bipyramids and an edgeedge with one LuO7 pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Lu3+ atoms to form a mixture of edge and corner-sharing OLu4 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Lu3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Lu3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Si4+ atom.},
doi = {10.17188/1192964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}