Materials Data on RbPrSe2O13 by Materials Project
Abstract
RbPrSe2O13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.24 Å. Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.30–3.13 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.72 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.70 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and one Se atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one Pr atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Pr and one Se atom. In the fourth O site, O is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211442
- 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; RbPrSe2O13; O-Pr-Rb-Se
- OSTI Identifier:
- 1672668
- DOI:
- https://doi.org/10.17188/1672668
Citation Formats
The Materials Project. Materials Data on RbPrSe2O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672668.
The Materials Project. Materials Data on RbPrSe2O13 by Materials Project. United States. doi:https://doi.org/10.17188/1672668
The Materials Project. 2020.
"Materials Data on RbPrSe2O13 by Materials Project". United States. doi:https://doi.org/10.17188/1672668. https://www.osti.gov/servlets/purl/1672668. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672668,
title = {Materials Data on RbPrSe2O13 by Materials Project},
author = {The Materials Project},
abstractNote = {RbPrSe2O13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.24 Å. Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.30–3.13 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.72 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.70 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and one Se atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one Pr atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Pr and one Se atom. In the fourth O site, O is bonded in a water-like geometry to one Pr and one O atom. The O–O bond length is 1.24 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one Se atom. In the sixth O site, O is bonded in a single-bond geometry to one O atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one O atom. The O–O bond length is 1.23 Å. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and one Se atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one Se atom. In the tenth O site, O is bonded in a 3-coordinate geometry to one Rb, one Pr, and one Se atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one O atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Rb and one Se atom. In the thirteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one Se atom.},
doi = {10.17188/1672668},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}