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Title: Materials Data on Nd2Mo6PtO38 by Materials Project

Abstract

Nd2Mo6PtO38 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.59 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.14 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.22 Å. In the third 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 1.77–2.26 Å. Pt is bonded in an octahedral geometry to six O atoms. There are four shorter (2.02 Å) and two longer (2.19 Å) Pt–O bond lengths. There are nineteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Pt and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a trigonal non-coplanar geometry to twomore » Mo and one Pt atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Pt atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Nd and two Mo atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Nd and one Mo atom. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a single-bond geometry to one Mo atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to one Nd and one O atom. The O–O bond length is 1.34 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 Å. In the seventeenth O site, O is bonded in a distorted single-bond geometry to one Nd atom. In the eighteenth O site, O is bonded in a single-bond geometry to one O atom. In the nineteenth O site, O is bonded in a single-bond geometry to one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1197807
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; Nd2Mo6PtO38; Mo-Nd-O-Pt
OSTI Identifier:
1740427
DOI:
https://doi.org/10.17188/1740427

Citation Formats

The Materials Project. Materials Data on Nd2Mo6PtO38 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740427.
The Materials Project. Materials Data on Nd2Mo6PtO38 by Materials Project. United States. doi:https://doi.org/10.17188/1740427
The Materials Project. 2020. "Materials Data on Nd2Mo6PtO38 by Materials Project". United States. doi:https://doi.org/10.17188/1740427. https://www.osti.gov/servlets/purl/1740427. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1740427,
title = {Materials Data on Nd2Mo6PtO38 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Mo6PtO38 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.59 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.14 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.22 Å. In the third 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 1.77–2.26 Å. Pt is bonded in an octahedral geometry to six O atoms. There are four shorter (2.02 Å) and two longer (2.19 Å) Pt–O bond lengths. There are nineteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Pt and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Pt atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Pt atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Nd and two Mo atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Nd and one Mo atom. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a single-bond geometry to one Mo atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to one Nd and one O atom. The O–O bond length is 1.34 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 Å. In the seventeenth O site, O is bonded in a distorted single-bond geometry to one Nd atom. In the eighteenth O site, O is bonded in a single-bond geometry to one O atom. In the nineteenth O site, O is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1740427},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}