U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb3(SO4)2 by Materials Project
Abstract
Rb3(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven inequivalent Rb sites. In the first 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 2.93–3.17 Å. In the second Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.49 Å. In the third Rb site, Rb is bonded to twelve O atoms to form distorted RbO12 cuboctahedra that share edges with six SO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 3.00–3.42 Å. In the fourth Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.51 Å. In the fifth Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.48 Å. In the sixth 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 2.99–3.14 Å. In the seventh Rb site, Rbmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1202497
- 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; Rb3(SO4)2; O-Rb-S
- OSTI Identifier:
- 1732958
- DOI:
- https://doi.org/10.17188/1732958
Citation Formats
The Materials Project. Materials Data on Rb3(SO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732958.
The Materials Project. Materials Data on Rb3(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1732958
The Materials Project. 2020.
"Materials Data on Rb3(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1732958. https://www.osti.gov/servlets/purl/1732958. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1732958,
title = {Materials Data on Rb3(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven inequivalent Rb sites. In the first 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 2.93–3.17 Å. In the second Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.49 Å. In the third Rb site, Rb is bonded to twelve O atoms to form distorted RbO12 cuboctahedra that share edges with six SO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 3.00–3.42 Å. In the fourth Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.51 Å. In the fifth Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.48 Å. In the sixth 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 2.99–3.14 Å. In the seventh Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 3.08–3.17 Å. There are four inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share an edgeedge with one RbO12 cuboctahedra. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. All S–O bond lengths are 1.49 Å. In the third S site, S is bonded to four O atoms to form SO4 tetrahedra that share an edgeedge with one RbO12 cuboctahedra. There is three shorter (1.49 Å) and one longer (1.51 Å) S–O bond length. In the fourth S site, S is bonded to four O atoms to form SO4 tetrahedra that share an edgeedge with one RbO12 cuboctahedra. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the ninth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the fifteenth O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to four Rb and one S atom.},
doi = {10.17188/1732958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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