U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Re2O11 by Materials Project
Abstract
Li2Re2O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.96–2.45 Å. In the second Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.93–2.49 Å. In the third Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.96–2.52 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.94–2.57 Å. There are four inequivalent Re sites. In the first Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.80 Å. In the second Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. In the third Re site, Re is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1182734
- 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; Li2Re2O11; Li-O-Re
- OSTI Identifier:
- 1744587
- DOI:
- https://doi.org/10.17188/1744587
Citation Formats
The Materials Project. Materials Data on Li2Re2O11 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1744587.
The Materials Project. Materials Data on Li2Re2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1744587
The Materials Project. 2019.
"Materials Data on Li2Re2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1744587. https://www.osti.gov/servlets/purl/1744587. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1744587,
title = {Materials Data on Li2Re2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Re2O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.96–2.45 Å. In the second Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.93–2.49 Å. In the third Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.96–2.52 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.94–2.57 Å. There are four inequivalent Re sites. In the first Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.80 Å. In the second Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. In the third Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. In the fourth Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. There are twenty-two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Li and one Re atom. In the second O site, O is bonded in a single-bond geometry to one Re atom. In the third O site, O is bonded in a distorted T-shaped geometry to two Li and one Re atom. In the fourth O site, O is bonded in a single-bond geometry to one Re atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Li and one Re atom. In the sixth O site, O is bonded in a single-bond geometry to one Re atom. In the seventh O site, O is bonded in a distorted T-shaped geometry to two Li and one Re atom. In the eighth O site, O is bonded in a single-bond geometry to one Re atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Li and one Re atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two Li and one Re atom. In the eleventh O site, O is bonded in a single-bond geometry to one Re atom. In the twelfth O site, O is bonded in a single-bond geometry to one Re atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one Li and one Re atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Re atom. In the fifteenth O site, O is bonded in a distorted T-shaped geometry to two Li and one Re atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Re atom. In the seventeenth O site, O is bonded in a 2-coordinate geometry to two Li atoms. In the eighteenth O site, O is bonded in a 2-coordinate geometry to two Li atoms. In the nineteenth O site, O is bonded in a distorted T-shaped geometry to two Li and one O atom. The O–O bond length is 1.24 Å. In the twentieth O site, O is bonded in a distorted T-shaped geometry to two Li and one O atom. The O–O bond length is 1.24 Å. In the twenty-first O site, O is bonded in a 3-coordinate geometry to two Li and one O atom. In the twenty-second O site, O is bonded in a 3-coordinate geometry to two Li and one O atom.},
doi = {10.17188/1744587},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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