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Title: Materials Data on La5C2Cl9 by Materials Project

Abstract

La5C2Cl9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to two C3- and seven Cl1- atoms. There are one shorter (2.46 Å) and one longer (2.49 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.96–3.37 Å. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to one C3- and seven Cl1- atoms. The La–C bond length is 2.36 Å. There are a spread of La–Cl bond distances ranging from 2.89–3.41 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to two C3- and seven Cl1- atoms. There are one shorter (2.46 Å) and one longer (2.51 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.88–3.51 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to one C3- and six Cl1- atoms. The La–C bond length is 2.35 Å. There are a spread of La–Cl bond distances ranging from 2.86–3.12 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- andmore » six Cl1- atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.88–3.28 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. The C–C bond length is 1.48 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal planar geometry to three La3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four La3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the tenth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four La3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-619791
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; La5C2Cl9; C-Cl-La
OSTI Identifier:
1278000
DOI:
10.17188/1278000

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La5C2Cl9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278000.
Persson, Kristin, & Project, Materials. Materials Data on La5C2Cl9 by Materials Project. United States. doi:10.17188/1278000.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on La5C2Cl9 by Materials Project". United States. doi:10.17188/1278000. https://www.osti.gov/servlets/purl/1278000. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1278000,
title = {Materials Data on La5C2Cl9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La5C2Cl9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to two C3- and seven Cl1- atoms. There are one shorter (2.46 Å) and one longer (2.49 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.96–3.37 Å. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to one C3- and seven Cl1- atoms. The La–C bond length is 2.36 Å. There are a spread of La–Cl bond distances ranging from 2.89–3.41 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to two C3- and seven Cl1- atoms. There are one shorter (2.46 Å) and one longer (2.51 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.88–3.51 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to one C3- and six Cl1- atoms. The La–C bond length is 2.35 Å. There are a spread of La–Cl bond distances ranging from 2.86–3.12 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.88–3.28 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. The C–C bond length is 1.48 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal planar geometry to three La3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four La3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the tenth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four La3+ atoms.},
doi = {10.17188/1278000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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