Materials Data on Tl(MoSe)3 by Materials Project

doi:10.17188/1206717

Title: Materials Data on Tl(MoSe)3 by Materials Project

Dataset
Other Related Research

Abstract

(MoSe)3Tl crystallizes in the hexagonal P6_3/m space group. The structure is one-dimensional and consists of two ramor molecules and one MoSe ribbon oriented in the (0, 0, 1) direction. In the MoSe ribbon, Mo is bonded in a distorted see-saw-like geometry to six equivalent Mo and four equivalent Se atoms. There are two shorter (2.67 Å) and four longer (2.74 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.63–2.72 Å. Se is bonded in a 4-coordinate geometry to four equivalent Mo atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-3411

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; Tl(MoSe)3; Mo-Se-Tl

OSTI Identifier:: 1206717

DOI:: https://doi.org/10.17188/1206717

Citation Formats


                    The Materials Project. Materials Data on Tl(MoSe)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206717.

Copy to clipboard


                    The Materials Project. Materials Data on Tl(MoSe)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206717

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Tl(MoSe)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206717.  https://www.osti.gov/servlets/purl/1206717. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1206717,

  title        = {Materials Data on Tl(MoSe)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(MoSe)3Tl crystallizes in the hexagonal P6_3/m space group. The structure is one-dimensional and consists of two ramor molecules and one MoSe ribbon oriented in the (0, 0, 1) direction. In the MoSe ribbon, Mo is bonded in a distorted see-saw-like geometry to six equivalent Mo and four equivalent Se atoms. There are two shorter (2.67 Å) and four longer (2.74 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.63–2.72 Å. Se is bonded in a 4-coordinate geometry to four equivalent Mo atoms.},

  doi          = {10.17188/1206717},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1206717

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Tl(MoSe)3 by Materials Project

Dataset The Materials Project

Tl(MoSe)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Mo is bonded in a distorted see-saw-like geometry to six equivalent Mo and four equivalent Se atoms. There are two shorter (2.67 Å) and four longer (2.73 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.63–2.71 Å. Tl is bonded in a trigonal planar geometry to three equivalent Se atoms. All Tl–Se bond lengths are 3.15 Å. Se is bonded in a 5-coordinate geometry to four equivalent Mo and one Tl atom.
Materials Data on In(MoSe)3 by Materials Project

Dataset The Materials Project

In(MoSe)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. There are two shorter (2.67 Å) and four longer (2.73 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.64–2.72 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. There are one shorter (2.67 Å) and two longer (2.73 Å) Mo–Mo bond lengths. There aremore »« less
Materials Data on Na(MoSe)3 by Materials Project

Dataset The Materials Project

Na(MoSe)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to three Mo and nine Se atoms. All Na–Mo bond lengths are 3.66 Å. There are a spread of Na–Se bond distances ranging from 3.28–3.50 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to one Na and four Se atoms. There are two shorter (2.64 Å) and two longer (2.72 Å) Mo–Se bond lengths. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to onemore »« less
Materials Data on Li(MoSe)3 by Materials Project

Dataset The Materials Project

Li(MoSe)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to three equivalent Se atoms. All Li–Se bond lengths are 2.58 Å. Mo is bonded in a distorted see-saw-like geometry to six equivalent Mo and four equivalent Se atoms. There are two shorter (2.67 Å) and four longer (2.74 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.63–2.72 Å. Se is bonded in a 1-coordinate geometry to one Li and four equivalent Mo atoms.
Materials Data on Ba(MoSe)3 by Materials Project

Dataset The Materials Project

Ba(MoSe)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine Se atoms. There are a spread of Ba–Se bond distances ranging from 3.43–3.49 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to four Se atoms. There are a spread of Mo–Se bond distances ranging from 2.68–2.75 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to four Se atoms. There are a spread of Mo–Se bond distances ranging from 2.68–2.75 Å. Inmore »« less

Similar Records