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Title: Materials Data on Pr2Se2O by Materials Project

Abstract

Pr2Se2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 1-coordinate geometry to six Se2- and one O2- atom. There are a spread of Pr–Se bond distances ranging from 2.96–3.15 Å. The Pr–O bond length is 2.40 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to three Se2- and three equivalent O2- atoms. There are a spread of Pr–Se bond distances ranging from 3.02–3.17 Å. There are one shorter (2.41 Å) and two longer (2.44 Å) Pr–O bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Pr3+ atoms. O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.

Publication Date:
Other Number(s):
mp-10925
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; Pr2Se2O; O-Pr-Se
OSTI Identifier:
1187465
DOI:
https://doi.org/10.17188/1187465

Citation Formats

The Materials Project. Materials Data on Pr2Se2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187465.
The Materials Project. Materials Data on Pr2Se2O by Materials Project. United States. doi:https://doi.org/10.17188/1187465
The Materials Project. 2020. "Materials Data on Pr2Se2O by Materials Project". United States. doi:https://doi.org/10.17188/1187465. https://www.osti.gov/servlets/purl/1187465. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187465,
title = {Materials Data on Pr2Se2O by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2Se2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 1-coordinate geometry to six Se2- and one O2- atom. There are a spread of Pr–Se bond distances ranging from 2.96–3.15 Å. The Pr–O bond length is 2.40 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to three Se2- and three equivalent O2- atoms. There are a spread of Pr–Se bond distances ranging from 3.02–3.17 Å. There are one shorter (2.41 Å) and two longer (2.44 Å) Pr–O bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Pr3+ atoms. O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.},
doi = {10.17188/1187465},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}