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Title: Materials Data on Sr2B5H2O11 by Materials Project

Abstract

Sr2B5H2O11 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.96 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 1.46–1.52 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.46 Å) and two longer (1.51 Å) B–O bond length. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and two B atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Sr and two B atoms. Inmore » the third O site, O is bonded in a bent 120 degrees geometry to two equivalent Sr and two B atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Sr and two equivalent B atoms. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and two B atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one H atom.« less

Publication Date:
Other Number(s):
mp-699248
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; Sr2B5H2O11; B-H-O-Sr
OSTI Identifier:
1285466
DOI:
10.17188/1285466

Citation Formats

The Materials Project. Materials Data on Sr2B5H2O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285466.
The Materials Project. Materials Data on Sr2B5H2O11 by Materials Project. United States. doi:10.17188/1285466.
The Materials Project. 2020. "Materials Data on Sr2B5H2O11 by Materials Project". United States. doi:10.17188/1285466. https://www.osti.gov/servlets/purl/1285466. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1285466,
title = {Materials Data on Sr2B5H2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2B5H2O11 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.96 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 1.46–1.52 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.46 Å) and two longer (1.51 Å) B–O bond length. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and two B atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Sr and two B atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent Sr and two B atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Sr and two equivalent B atoms. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and two B atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one H atom.},
doi = {10.17188/1285466},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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