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Title: Materials Data on Rb3P11 by Materials Project

Abstract

Rb3P11 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Rb3P11 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine P+0.27- atoms. There are a spread of Rb–P bond distances ranging from 3.66–3.87 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven P+0.27- atoms. There are a spread of Rb–P bond distances ranging from 3.28–3.42 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three equivalent P+0.27- atoms. All Rb–P bond lengths are 3.20 Å. There are eleven inequivalent P+0.27- sites. In the first P+0.27- site, P+0.27- is bonded to four P+0.27- atoms to form corner-sharing PP4 trigonal pyramids. There are one shorter (2.26 Å) and three longer (2.42 Å) P–P bond lengths. In the second P+0.27- site, P+0.27- is bonded to four P+0.27- atoms to form corner-sharing PP4 trigonal pyramids. The P–P bond length is 2.24 Å. In the third P+0.27- site, P+0.27- is bonded to four P+0.27- atoms to form corner-sharing PP4 tetrahedra. All P–P bond lengths are 2.47 Å. In themore » fourth P+0.27- site, P+0.27- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent P+0.27- atoms. All P–P bond lengths are 2.43 Å. In the fifth P+0.27- site, P+0.27- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent P+0.27- atoms. In the sixth P+0.27- site, P+0.27- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and four P+0.27- atoms. The P–P bond length is 2.22 Å. In the seventh P+0.27- site, P+0.27- is bonded in a 7-coordinate geometry to three equivalent Rb1+ and four P+0.27- atoms. All P–P bond lengths are 2.50 Å. In the eighth P+0.27- site, P+0.27- is bonded in a distorted trigonal non-coplanar geometry to three equivalent P+0.27- atoms. In the ninth P+0.27- site, P+0.27- is bonded in a 7-coordinate geometry to three equivalent Rb1+ and four P+0.27- atoms. There are one shorter (2.16 Å) and three longer (2.69 Å) P–P bond lengths. In the tenth P+0.27- site, P+0.27- is bonded in a 7-coordinate geometry to three equivalent Rb1+ and four P+0.27- atoms. All P–P bond lengths are 2.61 Å. In the eleventh P+0.27- site, P+0.27- is bonded in a 7-coordinate geometry to one Rb1+ and six P+0.27- atoms.« less

Publication Date:
Other Number(s):
mp-673817
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; Rb3P11; P-Rb
OSTI Identifier:
1282405
DOI:
10.17188/1282405

Citation Formats

The Materials Project. Materials Data on Rb3P11 by Materials Project. United States: N. p., 2013. Web. doi:10.17188/1282405.
The Materials Project. Materials Data on Rb3P11 by Materials Project. United States. doi:10.17188/1282405.
The Materials Project. 2013. "Materials Data on Rb3P11 by Materials Project". United States. doi:10.17188/1282405. https://www.osti.gov/servlets/purl/1282405. Pub date:Fri Oct 25 00:00:00 EDT 2013
@article{osti_1282405,
title = {Materials Data on Rb3P11 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3P11 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Rb3P11 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine P+0.27- atoms. There are a spread of Rb–P bond distances ranging from 3.66–3.87 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven P+0.27- atoms. There are a spread of Rb–P bond distances ranging from 3.28–3.42 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three equivalent P+0.27- atoms. All Rb–P bond lengths are 3.20 Å. There are eleven inequivalent P+0.27- sites. In the first P+0.27- site, P+0.27- is bonded to four P+0.27- atoms to form corner-sharing PP4 trigonal pyramids. There are one shorter (2.26 Å) and three longer (2.42 Å) P–P bond lengths. In the second P+0.27- site, P+0.27- is bonded to four P+0.27- atoms to form corner-sharing PP4 trigonal pyramids. The P–P bond length is 2.24 Å. In the third P+0.27- site, P+0.27- is bonded to four P+0.27- atoms to form corner-sharing PP4 tetrahedra. All P–P bond lengths are 2.47 Å. In the fourth P+0.27- site, P+0.27- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent P+0.27- atoms. All P–P bond lengths are 2.43 Å. In the fifth P+0.27- site, P+0.27- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent P+0.27- atoms. In the sixth P+0.27- site, P+0.27- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and four P+0.27- atoms. The P–P bond length is 2.22 Å. In the seventh P+0.27- site, P+0.27- is bonded in a 7-coordinate geometry to three equivalent Rb1+ and four P+0.27- atoms. All P–P bond lengths are 2.50 Å. In the eighth P+0.27- site, P+0.27- is bonded in a distorted trigonal non-coplanar geometry to three equivalent P+0.27- atoms. In the ninth P+0.27- site, P+0.27- is bonded in a 7-coordinate geometry to three equivalent Rb1+ and four P+0.27- atoms. There are one shorter (2.16 Å) and three longer (2.69 Å) P–P bond lengths. In the tenth P+0.27- site, P+0.27- is bonded in a 7-coordinate geometry to three equivalent Rb1+ and four P+0.27- atoms. All P–P bond lengths are 2.61 Å. In the eleventh P+0.27- site, P+0.27- is bonded in a 7-coordinate geometry to one Rb1+ and six P+0.27- atoms.},
doi = {10.17188/1282405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2013},
month = {10}
}

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