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Title: Materials Data on MoH(ClO)2 by Materials Project

Abstract

MoH(OCl)2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is one-dimensional and consists of two MoH(OCl)2 ribbons oriented in the (1, 0, 0) direction. Mo5+ is bonded in a 5-coordinate geometry to one H1+, three O2-, and two equivalent Cl1- atoms. The Mo–H bond length is 2.47 Å. There are a spread of Mo–O bond distances ranging from 1.70–2.10 Å. Both Mo–Cl bond lengths are 2.32 Å. H1+ is bonded in a single-bond geometry to one Mo5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Mo5+ atoms. Cl1- is bonded in a single-bond geometry to one Mo5+ atom.

Publication Date:
Other Number(s):
mp-1210599
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; MoH(ClO)2; Cl-H-Mo-O
OSTI Identifier:
1656352
DOI:
https://doi.org/10.17188/1656352

Citation Formats

The Materials Project. Materials Data on MoH(ClO)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1656352.
The Materials Project. Materials Data on MoH(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656352
The Materials Project. 2019. "Materials Data on MoH(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656352. https://www.osti.gov/servlets/purl/1656352. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1656352,
title = {Materials Data on MoH(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MoH(OCl)2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is one-dimensional and consists of two MoH(OCl)2 ribbons oriented in the (1, 0, 0) direction. Mo5+ is bonded in a 5-coordinate geometry to one H1+, three O2-, and two equivalent Cl1- atoms. The Mo–H bond length is 2.47 Å. There are a spread of Mo–O bond distances ranging from 1.70–2.10 Å. Both Mo–Cl bond lengths are 2.32 Å. H1+ is bonded in a single-bond geometry to one Mo5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Mo5+ atoms. Cl1- is bonded in a single-bond geometry to one Mo5+ atom.},
doi = {10.17188/1656352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}