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

Title: Materials Data on UCrO9 by Materials Project

Abstract

UCrO9UCrO7O2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two oxygen molecules; one UCrO7 ribbon oriented in the (0, 1, 0) direction; and one UCrO9 ribbon oriented in the (0, 1, 0) direction. In the UCrO7 ribbon, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.83–2.51 Å. Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.60–1.71 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a bent 150 degrees geometry to one U and one Cr atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a bent 150 degrees geometrymore » to one U and one Cr atom. In the seventh O site, O is bonded in a single-bond geometry to one Cr atom. In the UCrO9 ribbon, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three equivalent CrO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.80–2.61 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with three equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 31–36°. There are a spread of Cr–O bond distances ranging from 1.60–1.70 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one U and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.25 Å. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one Cr atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one U and one Cr atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one Cr atom. In the ninth O site, O is bonded in a single-bond geometry to one Cr atom.« less

Publication Date:
Other Number(s):
mp-1179331
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; UCrO9; Cr-O-U
OSTI Identifier:
1664087
DOI:
https://doi.org/10.17188/1664087

Citation Formats

The Materials Project. Materials Data on UCrO9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1664087.
The Materials Project. Materials Data on UCrO9 by Materials Project. United States. doi:https://doi.org/10.17188/1664087
The Materials Project. 2019. "Materials Data on UCrO9 by Materials Project". United States. doi:https://doi.org/10.17188/1664087. https://www.osti.gov/servlets/purl/1664087. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1664087,
title = {Materials Data on UCrO9 by Materials Project},
author = {The Materials Project},
abstractNote = {UCrO9UCrO7O2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two oxygen molecules; one UCrO7 ribbon oriented in the (0, 1, 0) direction; and one UCrO9 ribbon oriented in the (0, 1, 0) direction. In the UCrO7 ribbon, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.83–2.51 Å. Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.60–1.71 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a bent 150 degrees geometry to one U and one Cr atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one Cr atom. In the seventh O site, O is bonded in a single-bond geometry to one Cr atom. In the UCrO9 ribbon, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three equivalent CrO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.80–2.61 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with three equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 31–36°. There are a spread of Cr–O bond distances ranging from 1.60–1.70 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one U and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.25 Å. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one Cr atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one U and one Cr atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one Cr atom. In the ninth O site, O is bonded in a single-bond geometry to one Cr atom.},
doi = {10.17188/1664087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}