DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Rb3B3O10 by Materials Project

Abstract

Rb3B3O10 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.34 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.30 Å. In the third Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.46 Å. There are three inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.47 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.47 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. There are tenmore » inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two B atoms. In the third O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom. In the fifth O site, O is bonded in a 3-coordinate geometry to three Rb atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two Rb and two B atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one Rb and one B atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to two Rb and two B atoms. In the ninth O site, O is bonded to four Rb atoms to form distorted corner-sharing ORb4 trigonal pyramids. In the tenth O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom.« less

Publication Date:
Other Number(s):
mp-1202870
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; Rb3B3O10; B-O-Rb
OSTI Identifier:
1729322
DOI:
https://doi.org/10.17188/1729322

Citation Formats

The Materials Project. Materials Data on Rb3B3O10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729322.
The Materials Project. Materials Data on Rb3B3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1729322
The Materials Project. 2019. "Materials Data on Rb3B3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1729322. https://www.osti.gov/servlets/purl/1729322. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729322,
title = {Materials Data on Rb3B3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3B3O10 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.34 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.30 Å. In the third Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.46 Å. There are three inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.47 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.47 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two B atoms. In the third O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom. In the fifth O site, O is bonded in a 3-coordinate geometry to three Rb atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two Rb and two B atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one Rb and one B atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to two Rb and two B atoms. In the ninth O site, O is bonded to four Rb atoms to form distorted corner-sharing ORb4 trigonal pyramids. In the tenth O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom.},
doi = {10.17188/1729322},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}