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Title: Materials Data on CrPO10 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1758004· OSTI ID:1758004

CrO6CrO4(PO4)2O2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four cq4 molecules, four oxygen molecules, eight phosphoric acid molecules, and four CrO6 clusters. In each CrO6 cluster, Cr is bonded in an octahedral geometry to six O atoms. There is four shorter (1.81 Å) and two longer (1.83 Å) Cr–O bond length. There are three 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 single-bond geometry to one Cr atom. In the third O site, O is bonded in a single-bond geometry to one Cr atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1758004
Report Number(s):
mp-1201137
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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