Materials Data on MgU2(AsO8)2 by Materials Project

doi:10.17188/1704632

Title: Materials Data on MgU2(AsO8)2 by Materials Project

Dataset
Other Related Research

Abstract

MgO4(UAsO6)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MgO4 clusters and two UAsO6 sheets oriented in the (1, 0, 0) direction. In each MgO4 cluster, Mg is bonded in a distorted square co-planar geometry to four equivalent O atoms. All Mg–O bond lengths are 2.03 Å. O is bonded in a single-bond geometry to one Mg atom. In each UAsO6 sheet, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent AsO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.79–2.54 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of As–O bond distances ranging from 1.69–1.74 Å. There are five 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 As atom. In the third O site, Omore »« less

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1222175

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; As-Mg-O-U; MgU2(AsO8)2; crystal structure

OSTI Identifier:: 1704632

DOI:: https://doi.org/10.17188/1704632

Citation Formats


                    Materials Data on MgU2(AsO8)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1704632.

Copy to clipboard


                    Materials Data on MgU2(AsO8)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1704632

Copy to clipboard


                    2020.  
"Materials Data on MgU2(AsO8)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1704632.  https://www.osti.gov/servlets/purl/1704632. Pub date:Sat May 02 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1704632,

  title        = {Materials Data on MgU2(AsO8)2 by Materials Project},

  
  abstractNote = {MgO4(UAsO6)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MgO4 clusters and two UAsO6 sheets oriented in the (1, 0, 0) direction. In each MgO4 cluster, Mg is bonded in a distorted square co-planar geometry to four equivalent O atoms. All Mg–O bond lengths are 2.03 Å. O is bonded in a single-bond geometry to one Mg atom. In each UAsO6 sheet, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent AsO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.79–2.54 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of As–O bond distances ranging from 1.69–1.74 Å. There are five 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 As atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent U and one As atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom.},

  doi          = {10.17188/1704632},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1704632

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on MgU2(PO11)2 by Materials Project

Dataset

MgO6(UPO6)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules; two MgO6 clusters; and two UPO6 sheets oriented in the (0, 1, 0) direction. In each MgO6 cluster, Mg is bonded in a distorted square co-planar geometry to four O atoms. There are two shorter (1.96 Å) and two longer (2.46 Å) Mg–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mg atom. In the second O site, O is bonded in a bent 120 degrees geometrymore »« less
Materials Data on MgU2(SiO9)2 by Materials Project

Dataset

MgU2(SiO9)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a linear geometry to six O atoms. There are two shorter (1.83 Å) and four longer (2.73 Å) Mg–O bond lengths. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.82–2.54 Å. Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bondmore »« less
Materials Data on MgU2(SiO9)2 by Materials Project

Dataset

MgU2(SiO9)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to eight O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.73 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent SiO4 trigonal pyramids, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one SiO4 trigonal pyramid. There are a spread of U–O bond distances ranging from 1.79–2.56 Å. Si is bonded to four O atoms to form distorted SiO4 trigonal pyramids that sharemore »« less
Materials Data on MgU2(SiO8)2 by Materials Project

Dataset

MgU2(SiO8)2 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 (1.96 Å) and four longer (2.07 Å) Mg–O bond lengths. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.81–2.56 Å. 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 20°. There is two shorter (1.63 Å)more »« less
Materials Data on UBi4(AsO8)2 by Materials Project

Dataset

UBi4(AsO8)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.32 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.08–2.59 Å. In the second Bi4+ site, Bi4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bondmore »« less

Similar Records