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Title: Materials Data on U2Ag(GeO6)2 by Materials Project

Abstract

U2Ag(GeO6)2 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent GeO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.48 Å. In the second U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent GeO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.50 Å. Ag is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ag–O bond distances ranging from 2.15–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging frommore » 1.75–1.78 Å. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.78 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Ge atom. In the second O site, O is bonded in a distorted single-bond geometry to one U and two equivalent Ag atoms. 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 120 degrees geometry to one U and one Ge atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Ge atoms. In the sixth O site, O is bonded in a water-like geometry to two equivalent Ag atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to one U and two equivalent Ag atoms. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a 3-coordinate geometry to two U and one Ge atom. In the tenth O site, O is bonded in a 3-coordinate geometry to two U and one Ge atom.« less

Publication Date:
Other Number(s):
mp-1201239
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; U2Ag(GeO6)2; Ag-Ge-O-U
OSTI Identifier:
1665567
DOI:
https://doi.org/10.17188/1665567

Citation Formats

The Materials Project. Materials Data on U2Ag(GeO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665567.
The Materials Project. Materials Data on U2Ag(GeO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1665567
The Materials Project. 2020. "Materials Data on U2Ag(GeO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1665567. https://www.osti.gov/servlets/purl/1665567. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1665567,
title = {Materials Data on U2Ag(GeO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {U2Ag(GeO6)2 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent GeO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.48 Å. In the second U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent GeO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.50 Å. Ag is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ag–O bond distances ranging from 2.15–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.78 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Ge atom. In the second O site, O is bonded in a distorted single-bond geometry to one U and two equivalent Ag atoms. 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 120 degrees geometry to one U and one Ge atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Ge atoms. In the sixth O site, O is bonded in a water-like geometry to two equivalent Ag atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to one U and two equivalent Ag atoms. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a 3-coordinate geometry to two U and one Ge atom. In the tenth O site, O is bonded in a 3-coordinate geometry to two U and one Ge atom.},
doi = {10.17188/1665567},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}