Materials Data on SrPr2O4 by Materials Project
Abstract
SrPr2O4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.68–3.20 Å. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of Pr–O bond distances ranging from 2.31–2.54 Å. In the second Pr3+ site, Pr3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of Pr–O bond distances ranging from 2.38–2.48 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Pr3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and three Pr3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Pr3+ atoms to formmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-29605
- 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; SrPr2O4; O-Pr-Sr
- OSTI Identifier:
- 1204052
- DOI:
- https://doi.org/10.17188/1204052
Citation Formats
The Materials Project. Materials Data on SrPr2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204052.
The Materials Project. Materials Data on SrPr2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1204052
The Materials Project. 2020.
"Materials Data on SrPr2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1204052. https://www.osti.gov/servlets/purl/1204052. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204052,
title = {Materials Data on SrPr2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrPr2O4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.68–3.20 Å. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of Pr–O bond distances ranging from 2.31–2.54 Å. In the second Pr3+ site, Pr3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of Pr–O bond distances ranging from 2.38–2.48 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Pr3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and three Pr3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OSr2Pr3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Pr3+ atoms.},
doi = {10.17188/1204052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}