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Title: Materials Data on U3Ni2O9F16 by Materials Project

Abstract

(U3Ni2(O3F8)2)2(O2)3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of four trioxidane molecules and two U3Ni2(O3F8)2 sheets oriented in the (0, 0, 1) direction. In each U3Ni2(O3F8)2 sheet, there are two inequivalent U sites. In the first U site, U is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of U–F bond distances ranging from 2.12–2.35 Å. In the second U site, U is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of U–F bond distances ranging from 2.11–2.40 Å. Ni is bonded in an octahedral geometry to three O and three F atoms. There is two shorter (1.89 Å) and one longer (1.90 Å) Ni–O bond length. All Ni–F bond lengths are 2.20 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ni atom. In the second O site, O is bonded in a single-bond geometry to one Ni atom. There are seven inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two U atoms. In the second F site, F is bondedmore » in a bent 120 degrees geometry to two equivalent U atoms. In the third F site, F is bonded in a bent 150 degrees geometry to one U and one Ni atom. In the fourth F site, F is bonded in a bent 150 degrees geometry to one U and one Ni atom. In the fifth F site, F is bonded in a bent 120 degrees geometry to two U atoms. In the sixth F site, F is bonded in a bent 120 degrees geometry to two equivalent U atoms. In the seventh F site, F is bonded in a trigonal planar geometry to three U atoms.« less

Publication Date:
Other Number(s):
mp-1199636
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; U3Ni2O9F16; F-Ni-O-U
OSTI Identifier:
1749552
DOI:
https://doi.org/10.17188/1749552

Citation Formats

The Materials Project. Materials Data on U3Ni2O9F16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749552.
The Materials Project. Materials Data on U3Ni2O9F16 by Materials Project. United States. doi:https://doi.org/10.17188/1749552
The Materials Project. 2020. "Materials Data on U3Ni2O9F16 by Materials Project". United States. doi:https://doi.org/10.17188/1749552. https://www.osti.gov/servlets/purl/1749552. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1749552,
title = {Materials Data on U3Ni2O9F16 by Materials Project},
author = {The Materials Project},
abstractNote = {(U3Ni2(O3F8)2)2(O2)3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of four trioxidane molecules and two U3Ni2(O3F8)2 sheets oriented in the (0, 0, 1) direction. In each U3Ni2(O3F8)2 sheet, there are two inequivalent U sites. In the first U site, U is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of U–F bond distances ranging from 2.12–2.35 Å. In the second U site, U is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of U–F bond distances ranging from 2.11–2.40 Å. Ni is bonded in an octahedral geometry to three O and three F atoms. There is two shorter (1.89 Å) and one longer (1.90 Å) Ni–O bond length. All Ni–F bond lengths are 2.20 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ni atom. In the second O site, O is bonded in a single-bond geometry to one Ni atom. There are seven inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two U atoms. In the second F site, F is bonded in a bent 120 degrees geometry to two equivalent U atoms. In the third F site, F is bonded in a bent 150 degrees geometry to one U and one Ni atom. In the fourth F site, F is bonded in a bent 150 degrees geometry to one U and one Ni atom. In the fifth F site, F is bonded in a bent 120 degrees geometry to two U atoms. In the sixth F site, F is bonded in a bent 120 degrees geometry to two equivalent U atoms. In the seventh F site, F is bonded in a trigonal planar geometry to three U atoms.},
doi = {10.17188/1749552},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}