Materials Data on USeS by Materials Project

doi:10.17188/1195110

Title: Materials Data on USeS by Materials Project

Dataset
Other Related Research

Abstract

USSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 9-coordinate geometry to five equivalent Se2- and four equivalent S2- atoms. There are two shorter (3.03 Å) and three longer (3.09 Å) U–Se bond lengths. There are a spread of U–S bond distances ranging from 2.73–2.79 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent U4+ atoms. S2- is bonded to four equivalent U4+ atoms to form a mixture of distorted edge and corner-sharing SU4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-19924

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; USeS; S-Se-U

OSTI Identifier:: 1195110

DOI:: https://doi.org/10.17188/1195110

Citation Formats


                    The Materials Project. Materials Data on USeS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195110.

Copy to clipboard


                    The Materials Project. Materials Data on USeS by Materials Project.  United States.  doi:https://doi.org/10.17188/1195110

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on USeS by Materials Project".  United States.  doi:https://doi.org/10.17188/1195110.  https://www.osti.gov/servlets/purl/1195110. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1195110,

  title        = {Materials Data on USeS by Materials Project},

  author       = {The Materials Project},

  abstractNote = {USSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 9-coordinate geometry to five equivalent Se2- and four equivalent S2- atoms. There are two shorter (3.03 Å) and three longer (3.09 Å) U–Se bond lengths. There are a spread of U–S bond distances ranging from 2.73–2.79 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent U4+ atoms. S2- is bonded to four equivalent U4+ atoms to form a mixture of distorted edge and corner-sharing SU4 tetrahedra.},

  doi          = {10.17188/1195110},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1195110

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on US by Materials Project

Dataset The Materials Project

US is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form a mixture of edge and corner-sharing US6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–S bond lengths are 2.73 Å. S is bonded to six equivalent U atoms to form a mixture of edge and corner-sharing SU6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on USe by Materials Project

Dataset The Materials Project

USe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded to six equivalent Se atoms to form a mixture of edge and corner-sharing USe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–Se bond lengths are 2.87 Å. Se is bonded to six equivalent U atoms to form a mixture of edge and corner-sharing SeU6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on USeS by Materials Project

Dataset The Materials Project

USSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to four equivalent Se2- and four equivalent S2- atoms. There are a spread of U–Se bond distances ranging from 2.87–3.07 Å. There are two shorter (2.71 Å) and two longer (2.81 Å) U–S bond lengths. Se2- is bonded in a 4-coordinate geometry to four equivalent U4+ atoms. S2- is bonded in a distorted square co-planar geometry to four equivalent U4+ atoms.
Materials Data on Hf(US)3 by Materials Project

Dataset The Materials Project

Hf(US)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded in a square co-planar geometry to four equivalent S atoms. All U–S bond lengths are 2.64 Å. Hf is bonded to six equivalent S atoms to form corner-sharing HfS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–S bond lengths are 2.64 Å. S is bonded to four equivalent U and two equivalent Hf atoms to form a mixture of edge and corner-sharing SHf2U4 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less

Similar Records