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Title: Materials Data on La3As2ClO7 by Materials Project

Abstract

La3As2O7Cl crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.38 Å) and four longer (2.49 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of La–O bond distances ranging from 2.38–3.02 Å. The La–Cl bond length is 2.98 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.78 Å) and two longer (1.82 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ atoms to form edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one As3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one As3+ atom. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ atoms.

Publication Date:
Other Number(s):
mp-555073
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; La3As2ClO7; As-Cl-La-O
OSTI Identifier:
1268610
DOI:
10.17188/1268610

Citation Formats

The Materials Project. Materials Data on La3As2ClO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268610.
The Materials Project. Materials Data on La3As2ClO7 by Materials Project. United States. doi:10.17188/1268610.
The Materials Project. 2020. "Materials Data on La3As2ClO7 by Materials Project". United States. doi:10.17188/1268610. https://www.osti.gov/servlets/purl/1268610. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1268610,
title = {Materials Data on La3As2ClO7 by Materials Project},
author = {The Materials Project},
abstractNote = {La3As2O7Cl crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.38 Å) and four longer (2.49 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of La–O bond distances ranging from 2.38–3.02 Å. The La–Cl bond length is 2.98 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.78 Å) and two longer (1.82 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ atoms to form edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one As3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one As3+ atom. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ atoms.},
doi = {10.17188/1268610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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