U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb6U3Sb2(PS4)8 by Materials Project
Abstract
Rb6U3Sb2(PS4)8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.50–3.91 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.50–3.92 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.50–3.92 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.76–2.90 Å. In the second U6+ site, U6+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.76 Å) and four longer (2.90 Å) U–S bond lengths. Sb is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sb–S bond distances ranging from 2.59–3.00 Å. There are four inequivalent P5+ sites. In the first P5+ site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1195451
- 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; Rb6U3Sb2(PS4)8; P-Rb-S-Sb-U
- OSTI Identifier:
- 1711294
- DOI:
- https://doi.org/10.17188/1711294
Citation Formats
The Materials Project. Materials Data on Rb6U3Sb2(PS4)8 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711294.
The Materials Project. Materials Data on Rb6U3Sb2(PS4)8 by Materials Project. United States. doi:https://doi.org/10.17188/1711294
The Materials Project. 2019.
"Materials Data on Rb6U3Sb2(PS4)8 by Materials Project". United States. doi:https://doi.org/10.17188/1711294. https://www.osti.gov/servlets/purl/1711294. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1711294,
title = {Materials Data on Rb6U3Sb2(PS4)8 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb6U3Sb2(PS4)8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.50–3.91 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.50–3.92 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.50–3.92 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.76–2.90 Å. In the second U6+ site, U6+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.76 Å) and four longer (2.90 Å) U–S bond lengths. Sb is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sb–S bond distances ranging from 2.59–3.00 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 1.98–2.09 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.02–2.09 Å. In the third P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.02–2.09 Å. In the fourth P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.02–2.09 Å. There are sixteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three Rb1+ and one P5+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two U6+ and one P5+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two U6+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one P5+ atom. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to two Rb1+, one U6+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a 2-coordinate geometry to two Rb1+, one U6+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 2-coordinate geometry to two Rb1+, one U6+, and one P5+ atom. In the eighth S2- site, S2- is bonded in a 2-coordinate geometry to two Rb1+, one Sb, and one P5+ atom. In the ninth S2- site, S2- is bonded in a 2-coordinate geometry to two Rb1+, one Sb, and one P5+ atom. In the tenth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Sb, and one P5+ atom. In the eleventh S2- site, S2- is bonded in a distorted single-bond geometry to two Rb1+, one Sb, and one P5+ atom. In the twelfth S2- site, S2- is bonded in a distorted single-bond geometry to two Rb1+, one Sb, and one P5+ atom. In the thirteenth S2- site, S2- is bonded in a distorted single-bond geometry to two Rb1+, one Sb, and one P5+ atom. In the fourteenth S2- site, S2- is bonded in a 2-coordinate geometry to one Rb1+, one U6+, and one P5+ atom. In the fifteenth S2- site, S2- is bonded in a 2-coordinate geometry to one Rb1+, one U6+, and one P5+ atom. In the sixteenth S2- site, S2- is bonded in a 2-coordinate geometry to one Rb1+, one U6+, and one P5+ atom.},
doi = {10.17188/1711294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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