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Title: Materials Data on CrPO10 by Materials Project

Abstract

CrO6PO4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight phosphoric acid molecules and eight CrO6 clusters. In each CrO6 cluster, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.62–1.75 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.21 Å) and one longer (1.77 Å) O–O bond length. In the third O site, O is bonded in a single-bond geometry to one Cr and one O atom. In the fourth O site, O is bonded in a single-bond geometry to one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one O atom. In the sixth O site, O is bonded in a single-bond geometry to one Cr atom.

Publication Date:
Other Number(s):
mp-1214354
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; CrPO10; Cr-O-P
OSTI Identifier:
1680551
DOI:
https://doi.org/10.17188/1680551

Citation Formats

The Materials Project. Materials Data on CrPO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680551.
The Materials Project. Materials Data on CrPO10 by Materials Project. United States. doi:https://doi.org/10.17188/1680551
The Materials Project. 2020. "Materials Data on CrPO10 by Materials Project". United States. doi:https://doi.org/10.17188/1680551. https://www.osti.gov/servlets/purl/1680551. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680551,
title = {Materials Data on CrPO10 by Materials Project},
author = {The Materials Project},
abstractNote = {CrO6PO4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight phosphoric acid molecules and eight CrO6 clusters. In each CrO6 cluster, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.62–1.75 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.21 Å) and one longer (1.77 Å) O–O bond length. In the third O site, O is bonded in a single-bond geometry to one Cr and one O atom. In the fourth O site, O is bonded in a single-bond geometry to one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one O atom. In the sixth O site, O is bonded in a single-bond geometry to one Cr atom.},
doi = {10.17188/1680551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}