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Title: Materials Data on MoCl2O by Materials Project

Abstract

MoOCl2 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two MoOCl2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing MoCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Mo–O bond lengths are 1.93 Å. All Mo–Cl bond lengths are 2.51 Å. O2- is bonded in a linear geometry to two equivalent Mo4+ atoms. Cl1- is bonded in an L-shaped geometry to two equivalent Mo4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1221455
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MoCl2O; Cl-Mo-O
OSTI Identifier:
1667321
DOI:
https://doi.org/10.17188/1667321

Citation Formats

The Materials Project. Materials Data on MoCl2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667321.
The Materials Project. Materials Data on MoCl2O by Materials Project. United States. doi:https://doi.org/10.17188/1667321
The Materials Project. 2020. "Materials Data on MoCl2O by Materials Project". United States. doi:https://doi.org/10.17188/1667321. https://www.osti.gov/servlets/purl/1667321. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1667321,
title = {Materials Data on MoCl2O by Materials Project},
author = {The Materials Project},
abstractNote = {MoOCl2 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two MoOCl2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing MoCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Mo–O bond lengths are 1.93 Å. All Mo–Cl bond lengths are 2.51 Å. O2- is bonded in a linear geometry to two equivalent Mo4+ atoms. Cl1- is bonded in an L-shaped geometry to two equivalent Mo4+ atoms.},
doi = {10.17188/1667321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}