U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgUSe2O15 by Materials Project
Abstract
MgUSe2O15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg is bonded in a distorted rectangular see-saw-like geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.97–2.73 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with four SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.79–2.44 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There is three shorter (1.66 Å) and one longer (1.68 Å) Se–O bond length. In the second Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Se–O bond distances ranging from 1.67–1.70 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one U and one Se atom. In the second O site, O is bonded in a distorted single-bond geometry to one Mg and one O atom. The O–Omore »
- Publication Date:
- Other Number(s):
- mp-1203985
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mg-O-Se-U; MgUSe2O15; crystal structure
- OSTI Identifier:
- 1711204
- DOI:
- https://doi.org/10.17188/1711204
Citation Formats
Materials Data on MgUSe2O15 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711204.
Materials Data on MgUSe2O15 by Materials Project. United States. doi:https://doi.org/10.17188/1711204
2019.
"Materials Data on MgUSe2O15 by Materials Project". United States. doi:https://doi.org/10.17188/1711204. https://www.osti.gov/servlets/purl/1711204. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1711204,
title = {Materials Data on MgUSe2O15 by Materials Project},
abstractNote = {MgUSe2O15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg is bonded in a distorted rectangular see-saw-like geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.97–2.73 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with four SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.79–2.44 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There is three shorter (1.66 Å) and one longer (1.68 Å) Se–O bond length. In the second Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Se–O bond distances ranging from 1.67–1.70 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one U and one Se atom. In the second O site, O is bonded in a distorted single-bond geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a single-bond geometry to one Mg atom. In the fourth O site, O is bonded in a water-like geometry to one Mg and one O atom. The O–O bond length is 1.28 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Mg and one Se atom. In the sixth O site, O is bonded in a single-bond geometry to one O atom. In the seventh O site, O is bonded in a single-bond geometry to one U atom. In the eighth O site, O is bonded in a single-bond geometry to one Se atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Se atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Mg and one Se atom. In the eleventh O site, O is bonded in a single-bond geometry to one U atom. In the twelfth O site, O is bonded in a single-bond geometry to one U atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one U and one Se atom. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to one U and one Se atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Se atom.},
doi = {10.17188/1711204},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}