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Title: Materials Data on La4C2Cl5 by Materials Project

Abstract

La4C2Cl5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to one C+3.50- and six equivalent Cl1- atoms. The La–C bond length is 2.30 Å. There are four shorter (2.95 Å) and two longer (3.36 Å) La–Cl bond lengths. In the second La3+ site, La3+ is bonded to four equivalent C+3.50- and four Cl1- atoms to form a mixture of distorted edge, face, and corner-sharing LaC4Cl4 hexagonal bipyramids. All La–C bond lengths are 2.71 Å. There are two shorter (2.98 Å) and two longer (3.03 Å) La–Cl bond lengths. C+3.50- is bonded in a 6-coordinate geometry to five La3+ and one C+3.50- atom. The C–C bond length is 1.42 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent La3+ atoms.

Publication Date:
Other Number(s):
mp-569637
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; La4C2Cl5; C-Cl-La
OSTI Identifier:
1275190
DOI:
10.17188/1275190

Citation Formats

The Materials Project. Materials Data on La4C2Cl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275190.
The Materials Project. Materials Data on La4C2Cl5 by Materials Project. United States. doi:10.17188/1275190.
The Materials Project. 2020. "Materials Data on La4C2Cl5 by Materials Project". United States. doi:10.17188/1275190. https://www.osti.gov/servlets/purl/1275190. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1275190,
title = {Materials Data on La4C2Cl5 by Materials Project},
author = {The Materials Project},
abstractNote = {La4C2Cl5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to one C+3.50- and six equivalent Cl1- atoms. The La–C bond length is 2.30 Å. There are four shorter (2.95 Å) and two longer (3.36 Å) La–Cl bond lengths. In the second La3+ site, La3+ is bonded to four equivalent C+3.50- and four Cl1- atoms to form a mixture of distorted edge, face, and corner-sharing LaC4Cl4 hexagonal bipyramids. All La–C bond lengths are 2.71 Å. There are two shorter (2.98 Å) and two longer (3.03 Å) La–Cl bond lengths. C+3.50- is bonded in a 6-coordinate geometry to five La3+ and one C+3.50- atom. The C–C bond length is 1.42 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent La3+ atoms.},
doi = {10.17188/1275190},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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