Materials Data on KB5O8 by Materials Project

doi:10.17188/1280814

Title: Materials Data on KB5O8 by Materials Project

Dataset
Other Related Research

Abstract

KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.09 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.53 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.30–1.49 Å. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.32–1.49 Å. In the fifth B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. Both B–O bond lengths are 1.27 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two B3+more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-648384

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; KB5O8; B-K-O

OSTI Identifier:: 1280814

DOI:: https://doi.org/10.17188/1280814

Citation Formats


                    The Materials Project. Materials Data on KB5O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280814.

Copy to clipboard


                    The Materials Project. Materials Data on KB5O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280814

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on KB5O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280814.  https://www.osti.gov/servlets/purl/1280814. Pub date:Thu Apr 30 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1280814,

  title        = {Materials Data on KB5O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.09 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.53 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.30–1.49 Å. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.32–1.49 Å. In the fifth B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. Both B–O bond lengths are 1.27 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted L-shaped geometry to one K1+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one K1+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three B3+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms.},

  doi          = {10.17188/1280814},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1280814

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on KB5O8 by Materials Project

Dataset The Materials Project

KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.14 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. Inmore »« less
Materials Data on KB5O8 by Materials Project

Dataset The Materials Project

KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight KBO2 clusters and two B2O3 sheets oriented in the (0, 0, 1) direction. In each KBO2 cluster, K1+ is bonded in a 1-coordinate geometry to one O2- atom. The K–O bond length is 2.64 Å. B3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one B3+ atom. In themore »« less
Materials Data on KB5O8 by Materials Project

Dataset The Materials Project

KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two KB5O8 sheets oriented in the (0, 1, 0) direction. K1+ is bonded to four O2- atoms to form distorted KO4 trigonal pyramids that share a cornercorner with one BO4 tetrahedra and corners with two equivalent KO4 trigonal pyramids. There are a spread of K–O bond distances ranging from 2.58–3.27 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) B–Omore »« less
Materials Data on KB5O8 by Materials Project

Dataset The Materials Project

KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.93–3.40 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.47 Å) and two longer (1.49 Å) B–O bond length.more »« less
Materials Data on KB5O8 by Materials Project

Dataset The Materials Project

KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.84 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging frommore »« less

Similar Records