Materials Data on Ti(BiO3)2 by Materials Project

doi:10.17188/1319333

Title: Materials Data on Ti(BiO3)2 by Materials Project

Dataset
Other Related Research

Abstract

Ti(BiO3)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.79–2.68 Å. Bi4+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ti4+, four equivalent Bi4+, and four equivalent O2- atoms. All O–O bond lengths are 2.70 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Ti4+ and four equivalent Bi4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti4+, two equivalent Bi4+, and one O2- atom.

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mvc-14949

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; Bi-O-Ti; Ti(BiO3)2; crystal structure

OSTI Identifier:: 1319333

DOI:: https://doi.org/10.17188/1319333

Citation Formats


                    Materials Data on Ti(BiO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1319333.

Copy to clipboard


                    Materials Data on Ti(BiO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319333

Copy to clipboard


                    2020.  
"Materials Data on Ti(BiO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319333.  https://www.osti.gov/servlets/purl/1319333. Pub date:Mon Jul 20 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1319333,

  title        = {Materials Data on Ti(BiO3)2 by Materials Project},

  
  abstractNote = {Ti(BiO3)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.79–2.68 Å. Bi4+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ti4+, four equivalent Bi4+, and four equivalent O2- atoms. All O–O bond lengths are 2.70 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Ti4+ and four equivalent Bi4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti4+, two equivalent Bi4+, and one O2- atom.},

  doi          = {10.17188/1319333},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1319333

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ti(BiO3)2 by Materials Project

Dataset

TiBiO4BiO2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one BiO2 sheet oriented in the (0, 0, 1) direction and one TiBiO4 sheet oriented in the (0, 0, 1) direction. In the BiO2 sheet, Bi4+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.24 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent Bi4+ atoms. In the TiBiO4 sheet, Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.73–2.58 Å.more »« less
Materials Data on Ti(BiO3)2 by Materials Project

Dataset

Ti(BiO3)2 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.80 Å) and four longer (1.94 Å) Ti–O bond length. Bi4+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti4+ and two equivalent Bi4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometrymore »« less
Materials Data on Hg(BiO3)2 by Materials Project

Dataset

Hg(BiO3)2 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Hg2+ is bonded to six O2- atoms to form HgO6 octahedra that share corners with eight equivalent BiO6 octahedra and edges with two equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are two shorter (2.27 Å) and four longer (2.34 Å) Hg–O bond lengths. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent HgO6 octahedra, corners with four equivalent BiO6 octahedra, an edgeedge with one HgO6 octahedra, and an edgeedge with onemore »« less
Materials Data on U(BiO3)2 by Materials Project

Dataset

Bi2UO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. U6+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.01 Å) and six longer (2.32 Å) U–O bond lengths. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded tomore »« less
Materials Data on Mg(BiO3)2 by Materials Project

Dataset

MgBi2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent BiO6 octahedra and edges with two equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Mg–O bond lengths are 2.11 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with four equivalent BiO6 octahedra, an edgeedge with one MgO6 octahedra, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles rangemore »« less

Similar Records