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Title: Materials Data on K2Na4Be2O5 by Materials Project

Abstract

K2Na4Be2O5 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.71 Å) and four longer (2.82 Å) K–O bond lengths. There are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form distorted corner-sharing NaO4 tetrahedra. All Na–O bond lengths are 2.42 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.49 Å. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.57 Å) and one longer (1.59 Å) Be–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, four Na1+, and one Be2+ atom. In the second O2- site, O2- is bonded in a distorted octahedral geometry to two equivalent K1+, two equivalent Na1+, and two equivalent Be2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-14324
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2Na4Be2O5; Be-K-Na-O
OSTI Identifier:
1190611
DOI:
10.17188/1190611

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2Na4Be2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190611.
Persson, Kristin, & Project, Materials. Materials Data on K2Na4Be2O5 by Materials Project. United States. doi:10.17188/1190611.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2Na4Be2O5 by Materials Project". United States. doi:10.17188/1190611. https://www.osti.gov/servlets/purl/1190611. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1190611,
title = {Materials Data on K2Na4Be2O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2Na4Be2O5 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.71 Å) and four longer (2.82 Å) K–O bond lengths. There are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form distorted corner-sharing NaO4 tetrahedra. All Na–O bond lengths are 2.42 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.49 Å. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.57 Å) and one longer (1.59 Å) Be–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, four Na1+, and one Be2+ atom. In the second O2- site, O2- is bonded in a distorted octahedral geometry to two equivalent K1+, two equivalent Na1+, and two equivalent Be2+ atoms.},
doi = {10.17188/1190611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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