Materials Data on TlF by Materials Project

doi:10.17188/1270177

Title: Materials Data on TlF by Materials Project

Dataset
Other Related Research

Abstract

TlF is gamma CuTi structured and crystallizes in the orthorhombic Pma2 space group. The structure is two-dimensional and consists of one TlF sheet oriented in the (0, 0, 1) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to five F1- atoms to form a mixture of distorted corner and edge-sharing TlF5 square pyramids. There are a spread of Tl–F bond distances ranging from 2.49–2.92 Å. In the second Tl1+ site, Tl1+ is bonded to five F1- atoms to form a mixture of distorted corner and edge-sharing TlF5 square pyramids. There are a spread of Tl–F bond distances ranging from 2.49–2.94 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of distorted corner and edge-sharing FTl5 trigonal bipyramids. In the second F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of distorted corner and edge-sharing FTl5 trigonal bipyramids.

Authors:: The Materials Project

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

Other Number(s):: mp-558134

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; TlF; F-Tl

OSTI Identifier:: 1270177

DOI:: https://doi.org/10.17188/1270177

Citation Formats


                    The Materials Project. Materials Data on TlF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270177.

Copy to clipboard


                    The Materials Project. Materials Data on TlF by Materials Project.  United States.  doi:https://doi.org/10.17188/1270177

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on TlF by Materials Project".  United States.  doi:https://doi.org/10.17188/1270177.  https://www.osti.gov/servlets/purl/1270177. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1270177,

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

  author       = {The Materials Project},

  abstractNote = {TlF is gamma CuTi structured and crystallizes in the orthorhombic Pma2 space group. The structure is two-dimensional and consists of one TlF sheet oriented in the (0, 0, 1) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to five F1- atoms to form a mixture of distorted corner and edge-sharing TlF5 square pyramids. There are a spread of Tl–F bond distances ranging from 2.49–2.92 Å. In the second Tl1+ site, Tl1+ is bonded to five F1- atoms to form a mixture of distorted corner and edge-sharing TlF5 square pyramids. There are a spread of Tl–F bond distances ranging from 2.49–2.94 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of distorted corner and edge-sharing FTl5 trigonal bipyramids. In the second F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of distorted corner and edge-sharing FTl5 trigonal bipyramids.},

  doi          = {10.17188/1270177},

  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/10.17188/1270177

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on TlF by Materials Project

Dataset The Materials Project

TlF is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tl1+ is bonded to six equivalent F1- atoms to form a mixture of corner and edge-sharing TlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.84 Å. F1- is bonded to six equivalent Tl1+ atoms to form a mixture of corner and edge-sharing FTl6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on TlF by Materials Project

Dataset The Materials Project

TlF is TlF-II structured and crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one TlF sheet oriented in the (0, 0, 1) direction. Tl1+ is bonded in a 5-coordinate geometry to five equivalent F1- atoms. There are a spread of Tl–F bond distances ranging from 2.50–3.40 Å. F1- is bonded in a 4-coordinate geometry to five equivalent Tl1+ atoms.
Materials Data on TlF by Materials Project

Dataset The Materials Project

TlF is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one TlF sheet oriented in the (0, 0, 1) direction. Tl1+ is bonded to five equivalent F1- atoms to form a mixture of distorted edge and corner-sharing TlF5 square pyramids. There are one shorter (2.49 Å) and four longer (2.79 Å) Tl–F bond lengths. F1- is bonded to five equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing FTl5 trigonal bipyramids.
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
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.

Similar Records