Materials Data on Rb6U3Sb2(PS4)8 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1711294
- Report Number(s):
- mp-1195451
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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