Materials Data on TiBrO by Materials Project

doi:10.17188/1710074

Title: Materials Data on TiBrO by Materials Project

Dataset

Abstract

TiOBr crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one TiOBr sheet oriented in the (0, 0, 1) direction. Ti3+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.21 Å) and four longer (2.27 Å) Ti–O bond lengths. Both Ti–Br bond lengths are 2.70 Å. O2- is bonded in a 6-coordinate geometry to six equivalent Ti3+ atoms. Br1- is bonded in a 6-coordinate geometry to two equivalent Ti3+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1205296

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; TiBrO; Br-O-Ti

OSTI Identifier:: 1710074

DOI:: https://doi.org/10.17188/1710074

Citation Formats


                    The Materials Project. Materials Data on TiBrO by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1710074.

Copy to clipboard


                    The Materials Project. Materials Data on TiBrO by Materials Project.  United States.  doi:https://doi.org/10.17188/1710074

Copy to clipboard


                    The Materials Project. 2019.  
"Materials Data on TiBrO by Materials Project".  United States.  doi:https://doi.org/10.17188/1710074.  https://www.osti.gov/servlets/purl/1710074. Pub date:Sat Jan 12 00:00:00 EST 2019

Copy to clipboard


                    
@article{osti_1710074,

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

  author       = {The Materials Project},

  abstractNote = {TiOBr crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one TiOBr sheet oriented in the (0, 0, 1) direction. Ti3+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.21 Å) and four longer (2.27 Å) Ti–O bond lengths. Both Ti–Br bond lengths are 2.70 Å. O2- is bonded in a 6-coordinate geometry to six equivalent Ti3+ atoms. Br1- is bonded in a 6-coordinate geometry to two equivalent Ti3+ atoms.},

  doi          = {10.17188/1710074},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1710074

Save / Share:

Export Metadata

Save to My Library