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Title: Materials Data on La2Si2O7 by Materials Project

Abstract

La2Si2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.28–2.63 Å. In the second La3+ site, La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.28–2.64 Å. In the third La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.29–2.69 Å. In the fourth La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.29–2.68 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.66–1.80 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.60–1.77 Å. In the third Si4+ site, Si4+ ismore » bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.66–1.80 Å. In the fourth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.60–1.78 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two La3+, one Si4+, and one O2- atom. The O–O bond length is 1.49 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+, one Si4+, and one O2- atom. The O–O bond length is 1.49 Å. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one O2- atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one La3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one O2- atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Si4+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Si4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two Si4+ atoms. In the fourteenth O2- site, O2- is bonded in a bent 120 degrees geometry to one La3+ and one Si4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-706477
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; La2Si2O7; La-O-Si
OSTI Identifier:
1286193
DOI:
10.17188/1286193

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La2Si2O7 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1286193.
Persson, Kristin, & Project, Materials. Materials Data on La2Si2O7 by Materials Project. United States. doi:10.17188/1286193.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on La2Si2O7 by Materials Project". United States. doi:10.17188/1286193. https://www.osti.gov/servlets/purl/1286193. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1286193,
title = {Materials Data on La2Si2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La2Si2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.28–2.63 Å. In the second La3+ site, La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.28–2.64 Å. In the third La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.29–2.69 Å. In the fourth La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.29–2.68 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.66–1.80 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.60–1.77 Å. In the third Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.66–1.80 Å. In the fourth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.60–1.78 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two La3+, one Si4+, and one O2- atom. The O–O bond length is 1.49 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+, one Si4+, and one O2- atom. The O–O bond length is 1.49 Å. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one O2- atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one La3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one O2- atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Si4+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Si4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two Si4+ atoms. In the fourteenth O2- site, O2- is bonded in a bent 120 degrees geometry to one La3+ and one Si4+ atom.},
doi = {10.17188/1286193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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