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Title: Materials Data on MoRhN5ClO4 by Materials Project

Abstract

MoRhN5O4Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four MoRhN5O4Cl ribbons oriented in the (1, 0, 0) direction. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–1.95 Å. Rh4+ is bonded in a distorted square pyramidal geometry to five N+0.20- atoms. There are a spread of Rh–N bond distances ranging from 1.73–2.32 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a distorted water-like geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.52 Å. In the second N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Rh4+ and two equivalent O2- atoms. Both N–O bond lengths are 1.36 Å. In the third N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Rh4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mo6+ and one N+0.20- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bondedmore » in a single-bond geometry to one Mo6+ atom. Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent N+0.20- atoms.« less

Publication Date:
Other Number(s):
mp-1202582
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; MoRhN5ClO4; Cl-Mo-N-O-Rh
OSTI Identifier:
1684162
DOI:
https://doi.org/10.17188/1684162

Citation Formats

The Materials Project. Materials Data on MoRhN5ClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684162.
The Materials Project. Materials Data on MoRhN5ClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1684162
The Materials Project. 2020. "Materials Data on MoRhN5ClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1684162. https://www.osti.gov/servlets/purl/1684162. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1684162,
title = {Materials Data on MoRhN5ClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {MoRhN5O4Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four MoRhN5O4Cl ribbons oriented in the (1, 0, 0) direction. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–1.95 Å. Rh4+ is bonded in a distorted square pyramidal geometry to five N+0.20- atoms. There are a spread of Rh–N bond distances ranging from 1.73–2.32 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a distorted water-like geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.52 Å. In the second N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Rh4+ and two equivalent O2- atoms. Both N–O bond lengths are 1.36 Å. In the third N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Rh4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mo6+ and one N+0.20- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent N+0.20- atoms.},
doi = {10.17188/1684162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}