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Title: Materials Data on MgU2Si2O17 by Materials Project

Abstract

MgU2Si2O17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra. There are two shorter (1.91 Å) and four longer (2.10 Å) Mg–O bond lengths. U is bonded in a 5-coordinate geometry to five O atoms. There are two shorter (1.81 Å) and three longer (2.25 Å) U–O bond lengths. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Si–O bond distances ranging from 1.61–1.66 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 single-bond geometry to one U atom. In the third O site, O is bonded in a linear geometry to one Mg and one Si atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one Si atom. In the fifth O site, O is bonded in a 2-coordinate geometry to onemore » U and one Si atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Mg and two O atoms. There is one shorter (1.35 Å) and one longer (1.73 Å) O–O bond length. In the seventh O site, O is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1180497
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MgU2Si2O17; Mg-O-Si-U
OSTI Identifier:
1758372
DOI:
https://doi.org/10.17188/1758372

Citation Formats

The Materials Project. Materials Data on MgU2Si2O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758372.
The Materials Project. Materials Data on MgU2Si2O17 by Materials Project. United States. doi:https://doi.org/10.17188/1758372
The Materials Project. 2020. "Materials Data on MgU2Si2O17 by Materials Project". United States. doi:https://doi.org/10.17188/1758372. https://www.osti.gov/servlets/purl/1758372. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758372,
title = {Materials Data on MgU2Si2O17 by Materials Project},
author = {The Materials Project},
abstractNote = {MgU2Si2O17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra. There are two shorter (1.91 Å) and four longer (2.10 Å) Mg–O bond lengths. U is bonded in a 5-coordinate geometry to five O atoms. There are two shorter (1.81 Å) and three longer (2.25 Å) U–O bond lengths. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Si–O bond distances ranging from 1.61–1.66 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 single-bond geometry to one U atom. In the third O site, O is bonded in a linear geometry to one Mg and one Si atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one Si atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one U and one Si atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Mg and two O atoms. There is one shorter (1.35 Å) and one longer (1.73 Å) O–O bond length. In the seventh O site, O is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms.},
doi = {10.17188/1758372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}