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Title: Materials Data on MgH4(ClO)2 by Materials Project

Abstract

MgH4(OCl)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two MgH4(OCl)2 ribbons oriented in the (0, 0, 1) direction. Mg2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form edge-sharing MgCl4O2 octahedra. Both Mg–O bond lengths are 2.04 Å. There are two shorter (2.53 Å) and two longer (2.59 Å) Mg–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent H1+ atoms. Cl1- is bonded in an L-shaped geometry to two equivalent Mg2+ atoms.

Publication Date:
Other Number(s):
mp-24336
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; MgH4(ClO)2; Cl-H-Mg-O
OSTI Identifier:
1200037
DOI:
https://doi.org/10.17188/1200037

Citation Formats

The Materials Project. Materials Data on MgH4(ClO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200037.
The Materials Project. Materials Data on MgH4(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1200037
The Materials Project. 2020. "Materials Data on MgH4(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1200037. https://www.osti.gov/servlets/purl/1200037. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1200037,
title = {Materials Data on MgH4(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgH4(OCl)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two MgH4(OCl)2 ribbons oriented in the (0, 0, 1) direction. Mg2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form edge-sharing MgCl4O2 octahedra. Both Mg–O bond lengths are 2.04 Å. There are two shorter (2.53 Å) and two longer (2.59 Å) Mg–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent H1+ atoms. Cl1- is bonded in an L-shaped geometry to two equivalent Mg2+ atoms.},
doi = {10.17188/1200037},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}