DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CeMo12(NO27)2 by Materials Project

Abstract

Ce(Mo2O7)6N2(O2)6 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six ammonia molecules, eighteen oxygen molecules, and three Ce(Mo2O7)6 clusters. In each Ce(Mo2O7)6 cluster, Ce is bonded in a cuboctahedral geometry to twelve O atoms. There are six shorter (2.53 Å) and six longer (2.55 Å) Ce–O bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.40 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two Mo atoms. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a single-bond geometry to one Mo atom. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometrymore » to one Ce and three Mo atoms. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom. In the seventh O site, O is bonded in a distorted rectangular see-saw-like geometry to one Ce and three Mo atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-867150
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; CeMo12(NO27)2; Ce-Mo-N-O
OSTI Identifier:
1311797
DOI:
https://doi.org/10.17188/1311797

Citation Formats

The Materials Project. Materials Data on CeMo12(NO27)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311797.
The Materials Project. Materials Data on CeMo12(NO27)2 by Materials Project. United States. doi:https://doi.org/10.17188/1311797
The Materials Project. 2020. "Materials Data on CeMo12(NO27)2 by Materials Project". United States. doi:https://doi.org/10.17188/1311797. https://www.osti.gov/servlets/purl/1311797. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1311797,
title = {Materials Data on CeMo12(NO27)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(Mo2O7)6N2(O2)6 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six ammonia molecules, eighteen oxygen molecules, and three Ce(Mo2O7)6 clusters. In each Ce(Mo2O7)6 cluster, Ce is bonded in a cuboctahedral geometry to twelve O atoms. There are six shorter (2.53 Å) and six longer (2.55 Å) Ce–O bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.40 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two Mo atoms. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a single-bond geometry to one Mo atom. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometry to one Ce and three Mo atoms. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom. In the seventh O site, O is bonded in a distorted rectangular see-saw-like geometry to one Ce and three Mo atoms.},
doi = {10.17188/1311797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}