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Title: Materials Data on La2B3Cl by Materials Project

Abstract

La2B3Cl crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent La2+ sites. In the first La2+ site, La2+ is bonded in a 7-coordinate geometry to four B1- and three Cl1- atoms. All La–B bond lengths are 2.70 Å. There are one shorter (3.17 Å) and two longer (3.21 Å) La–Cl bond lengths. In the second La2+ site, La2+ is bonded in a 9-coordinate geometry to six B1- and three equivalent Cl1- atoms. All La–B bond lengths are 2.73 Å. All La–Cl bond lengths are 3.15 Å. There are four inequivalent B1- sites. In the first B1- site, B1- is bonded to four equivalent La2+ and three B1- atoms to form a mixture of distorted edge and face-sharing BLa4B3 pentagonal bipyramids. There is two shorter (1.66 Å) and one longer (1.68 Å) B–B bond length. In the second B1- site, B1- is bonded to four equivalent La2+ and three B1- atoms to form a mixture of distorted edge and face-sharing BLa4B3 pentagonal bipyramids. There is two shorter (1.66 Å) and one longer (1.67 Å) B–B bond length. In the third B1- site, B1- is bonded in a 3-coordinate geometry to two equivalent La2+ and threemore » B1- atoms. Both B–B bond lengths are 1.87 Å. In the fourth B1- site, B1- is bonded in a 3-coordinate geometry to two equivalent La2+ and three B1- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six La2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent La2+ atoms.« less

Publication Date:
Other Number(s):
mp-569121
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; La2B3Cl; B-Cl-La
OSTI Identifier:
1274947
DOI:
10.17188/1274947

Citation Formats

The Materials Project. Materials Data on La2B3Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274947.
The Materials Project. Materials Data on La2B3Cl by Materials Project. United States. doi:10.17188/1274947.
The Materials Project. 2020. "Materials Data on La2B3Cl by Materials Project". United States. doi:10.17188/1274947. https://www.osti.gov/servlets/purl/1274947. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1274947,
title = {Materials Data on La2B3Cl by Materials Project},
author = {The Materials Project},
abstractNote = {La2B3Cl crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent La2+ sites. In the first La2+ site, La2+ is bonded in a 7-coordinate geometry to four B1- and three Cl1- atoms. All La–B bond lengths are 2.70 Å. There are one shorter (3.17 Å) and two longer (3.21 Å) La–Cl bond lengths. In the second La2+ site, La2+ is bonded in a 9-coordinate geometry to six B1- and three equivalent Cl1- atoms. All La–B bond lengths are 2.73 Å. All La–Cl bond lengths are 3.15 Å. There are four inequivalent B1- sites. In the first B1- site, B1- is bonded to four equivalent La2+ and three B1- atoms to form a mixture of distorted edge and face-sharing BLa4B3 pentagonal bipyramids. There is two shorter (1.66 Å) and one longer (1.68 Å) B–B bond length. In the second B1- site, B1- is bonded to four equivalent La2+ and three B1- atoms to form a mixture of distorted edge and face-sharing BLa4B3 pentagonal bipyramids. There is two shorter (1.66 Å) and one longer (1.67 Å) B–B bond length. In the third B1- site, B1- is bonded in a 3-coordinate geometry to two equivalent La2+ and three B1- atoms. Both B–B bond lengths are 1.87 Å. In the fourth B1- site, B1- is bonded in a 3-coordinate geometry to two equivalent La2+ and three B1- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six La2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent La2+ atoms.},
doi = {10.17188/1274947},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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