U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2Mn(AsO10)2 by Materials Project
Abstract
(U2MnAs2O15)2(O2)5 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two oxygen molecules; two trioxidane molecules; and one U2MnAs2O15 sheet oriented in the (0, 1, 1) direction. In the U2MnAs2O15 sheet, there are two inequivalent U sites. In the first U site, U is bonded to six O atoms to form UO6 octahedra that share a cornercorner with one MnO4 tetrahedra and corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.23 Å. In the second U site, U is bonded to six O atoms to form UO6 octahedra that share corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.32 Å. Mn is bonded to four O atoms to form MnO4 tetrahedra that share a cornercorner with one UO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Mn–O bond distances ranging from 1.58–1.77 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are a spread of As–Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199293
- 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; U2Mn(AsO10)2; As-Mn-O-U
- OSTI Identifier:
- 1709705
- DOI:
- https://doi.org/10.17188/1709705
Citation Formats
The Materials Project. Materials Data on U2Mn(AsO10)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1709705.
The Materials Project. Materials Data on U2Mn(AsO10)2 by Materials Project. United States. doi:https://doi.org/10.17188/1709705
The Materials Project. 2020.
"Materials Data on U2Mn(AsO10)2 by Materials Project". United States. doi:https://doi.org/10.17188/1709705. https://www.osti.gov/servlets/purl/1709705. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1709705,
title = {Materials Data on U2Mn(AsO10)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(U2MnAs2O15)2(O2)5 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two oxygen molecules; two trioxidane molecules; and one U2MnAs2O15 sheet oriented in the (0, 1, 1) direction. In the U2MnAs2O15 sheet, there are two inequivalent U sites. In the first U site, U is bonded to six O atoms to form UO6 octahedra that share a cornercorner with one MnO4 tetrahedra and corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.23 Å. In the second U site, U is bonded to six O atoms to form UO6 octahedra that share corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.32 Å. Mn is bonded to four O atoms to form MnO4 tetrahedra that share a cornercorner with one UO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Mn–O bond distances ranging from 1.58–1.77 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are a spread of As–O bond distances ranging from 1.71–1.73 Å. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 21–44°. There are a spread of As–O bond distances ranging from 1.71–1.73 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one U and one As atom. In the second O site, O is bonded in a single-bond geometry to one Mn atom. In the third O site, O is bonded in a single-bond geometry to one Mn atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the fifth O site, O is bonded in a single-bond geometry to one Mn 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 single-bond geometry to one U atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to one U and one Mn atom. In the fifteenth O site, O is bonded in a single-bond geometry to one U atom.},
doi = {10.17188/1709705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}