Materials Data on BaBi4(IO2)2 by Materials Project

doi:10.17188/1267255

Title: Materials Data on BaBi4(IO2)2 by Materials Project

Dataset
Other Related Research

Abstract

BaOBi2O3(BiI)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BaOBi2O3 sheets oriented in the (0, 0, 1) direction and four BiI sheets oriented in the (0, 0, 1) direction. In each BaOBi2O3 sheet, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.76 Å. Bi2+ is bonded to four equivalent O2- atoms to form distorted corner-sharing BiO4 trigonal pyramids. All Bi–O bond lengths are 2.24 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Bi2+ atoms to form a mixture of distorted corner and edge-sharing OBa2Bi2 tetrahedra. In each BiI sheet, Bi2+ is bonded in a 4-coordinate geometry to four equivalent I1- atoms. All Bi–I bond lengths are 3.51 Å. I1- is bonded in a 4-coordinate geometry to four equivalent Bi2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-546846

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; BaBi4(IO2)2; Ba-Bi-I-O

OSTI Identifier:: 1267255

DOI:: https://doi.org/10.17188/1267255

Citation Formats


                    The Materials Project. Materials Data on BaBi4(IO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267255.

Copy to clipboard


                    The Materials Project. Materials Data on BaBi4(IO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267255

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on BaBi4(IO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267255.  https://www.osti.gov/servlets/purl/1267255. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1267255,

  title        = {Materials Data on BaBi4(IO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaOBi2O3(BiI)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BaOBi2O3 sheets oriented in the (0, 0, 1) direction and four BiI sheets oriented in the (0, 0, 1) direction. In each BaOBi2O3 sheet, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.76 Å. Bi2+ is bonded to four equivalent O2- atoms to form distorted corner-sharing BiO4 trigonal pyramids. All Bi–O bond lengths are 2.24 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Bi2+ atoms to form a mixture of distorted corner and edge-sharing OBa2Bi2 tetrahedra. In each BiI sheet, Bi2+ is bonded in a 4-coordinate geometry to four equivalent I1- atoms. All Bi–I bond lengths are 3.51 Å. I1- is bonded in a 4-coordinate geometry to four equivalent Bi2+ atoms.},

  doi          = {10.17188/1267255},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1267255

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on LiBi3(IO2)2 by Materials Project

Dataset The Materials Project

LiBi3(O2I)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.11 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.30 Å. There are two shorter (3.51 Å) and two longer (3.57 Å) Bi–I bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms.more »« less
Materials Data on RuC4(IO2)2 by Materials Project

Dataset The Materials Project

RuI2(CO)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four diiodoruthenium molecules and sixteen formaldehyde molecules.
Materials Data on La2Si(IO2)2 by Materials Project

Dataset The Materials Project

La2Si(O2I)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one La2Si(O2I)2 sheet oriented in the (0, 0, 1) direction. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to five O2- and three I1- atoms. There are a spread of La–O bond distances ranging from 2.40–2.64 Å. There are a spread of La–I bond distances ranging from 3.34–3.38 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to five O2- and three I1- atoms. There are a spread of La–O bondmore »« less
Materials Data on Ag4Se(IO2)2 by Materials Project

Dataset The Materials Project

Ag4Se(O2I)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- and one I1- atom. There are a spread of Ag–O bond distances ranging from 2.38–2.50 Å. The Ag–I bond length is 2.90 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent O2- and four I1- atoms. There are one shorter (2.45 Å) and one longer (2.47 Å) Ag–O bond lengths. There are a spread of Ag–I bond distances ranging frommore »« less
Materials Data on Sr2Cu3(IO2)2 by Materials Project

Dataset The Materials Project

Sr2Cu3(O2I)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one Cu2+, four equivalent O2-, and four equivalent I1- atoms. The Sr–Cu bond length is 2.61 Å. All Sr–O bond lengths are 3.19 Å. All Sr–I bond lengths are 3.34 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.02 Å. In the second Cu2+ site, Cu2+ is bonded in a distorted square co-planar geometry to two equivalent Sr2+more »« less

Similar Records