U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb3P11 by Materials Project
Abstract
Rb3P11 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Rb3P11 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight P+0.27- atoms. There are a spread of Rb–P bond distances ranging from 3.52–3.70 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to two equivalent Rb1+ and eight P+0.27- atoms. Both Rb–Rb bond lengths are 3.37 Å. There are a spread of Rb–P bond distances ranging from 3.34–4.00 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five P+0.27- atoms. There are a spread of Rb–P bond distances ranging from 3.23–3.72 Å. There are eleven inequivalent P+0.27- sites. In the first P+0.27- site, P+0.27- is bonded in a distorted T-shaped geometry to three P+0.27- atoms. There are one shorter (2.25 Å) and two longer (2.28 Å) P–P bond lengths. In the second P+0.27- site, P+0.27- is bonded in a distorted T-shaped geometry to three P+0.27- atoms. The P–P bond length is 2.25 Å. In the third P+0.27- site, P+0.27- is bonded to two equivalent Rb1+ andmore »
- Publication Date:
- Other Number(s):
- mp-1173444
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; P-Rb; Rb3P11; crystal structure
- OSTI Identifier:
- 1665628
- DOI:
- https://doi.org/10.17188/1665628
Citation Formats
Materials Data on Rb3P11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1665628.
Materials Data on Rb3P11 by Materials Project. United States. doi:https://doi.org/10.17188/1665628
2020.
"Materials Data on Rb3P11 by Materials Project". United States. doi:https://doi.org/10.17188/1665628. https://www.osti.gov/servlets/purl/1665628. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1665628,
title = {Materials Data on Rb3P11 by Materials Project},
abstractNote = {Rb3P11 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Rb3P11 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight P+0.27- atoms. There are a spread of Rb–P bond distances ranging from 3.52–3.70 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to two equivalent Rb1+ and eight P+0.27- atoms. Both Rb–Rb bond lengths are 3.37 Å. There are a spread of Rb–P bond distances ranging from 3.34–4.00 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five P+0.27- atoms. There are a spread of Rb–P bond distances ranging from 3.23–3.72 Å. There are eleven inequivalent P+0.27- sites. In the first P+0.27- site, P+0.27- is bonded in a distorted T-shaped geometry to three P+0.27- atoms. There are one shorter (2.25 Å) and two longer (2.28 Å) P–P bond lengths. In the second P+0.27- site, P+0.27- is bonded in a distorted T-shaped geometry to three P+0.27- atoms. The P–P bond length is 2.25 Å. In the third P+0.27- site, P+0.27- is bonded to two equivalent Rb1+ and three P+0.27- atoms to form distorted edge-sharing PRb2P3 trigonal bipyramids. Both P–P bond lengths are 2.20 Å. In the fourth P+0.27- site, P+0.27- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent P+0.27- atoms. Both P–P bond lengths are 2.24 Å. In the fifth P+0.27- site, P+0.27- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent P+0.27- atoms. In the sixth P+0.27- site, P+0.27- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three P+0.27- atoms. The P–P bond length is 2.26 Å. In the seventh P+0.27- site, P+0.27- is bonded to two equivalent Rb1+ and three P+0.27- atoms to form distorted edge-sharing PRb2P3 trigonal bipyramids. Both P–P bond lengths are 2.23 Å. In the eighth P+0.27- site, P+0.27- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent P+0.27- atoms. In the ninth P+0.27- site, P+0.27- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three P+0.27- atoms. There are one shorter (2.22 Å) and two longer (2.32 Å) P–P bond lengths. In the tenth P+0.27- site, P+0.27- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three P+0.27- atoms. Both P–P bond lengths are 2.32 Å. In the eleventh P+0.27- site, P+0.27- is bonded in a 7-coordinate geometry to three Rb1+ and four P+0.27- atoms.},
doi = {10.17188/1665628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}