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Title: Materials Data on Rb2Be2Si2O7 by Materials Project

Abstract

Rb2Be2Si2O7 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.38 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.21 Å. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. All Be–O bond lengths are 1.54 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.66 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Rb1+, one Be2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Rb1+, one Be2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Rb1+, one Be2+, and one Si4+ atom. In the fourthmore » O2- site, O2- is bonded in a linear geometry to two equivalent Rb1+ and two equivalent Si4+ atoms.« less

Publication Date:
Other Number(s):
mp-557027
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; Rb2Be2Si2O7; Be-O-Rb-Si
OSTI Identifier:
1269661
DOI:
10.17188/1269661

Citation Formats

The Materials Project. Materials Data on Rb2Be2Si2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269661.
The Materials Project. Materials Data on Rb2Be2Si2O7 by Materials Project. United States. doi:10.17188/1269661.
The Materials Project. 2020. "Materials Data on Rb2Be2Si2O7 by Materials Project". United States. doi:10.17188/1269661. https://www.osti.gov/servlets/purl/1269661. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1269661,
title = {Materials Data on Rb2Be2Si2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Be2Si2O7 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.38 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.21 Å. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. All Be–O bond lengths are 1.54 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.66 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Rb1+, one Be2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Rb1+, one Be2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Rb1+, one Be2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Rb1+ and two equivalent Si4+ atoms.},
doi = {10.17188/1269661},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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