U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaSrDy4O8 by Materials Project
Abstract
BaSrDy4O8 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–2.94 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.03 Å. There are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Dy–O bond distances ranging from 2.23–2.36 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are a spread of Dy–O bond distances ranging from 2.27–2.39 Å. In the third Dy3+ site, Dy3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are a spread of Dy–O bond distances ranging from 2.27–2.35 Å. In the fourth Dy3+ site, Dy3+ is bonded to sixmore »
- Publication Date:
- Other Number(s):
- mp-1227771
- 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; Ba-Dy-O-Sr; BaSrDy4O8; crystal structure
- OSTI Identifier:
- 1675634
- DOI:
- https://doi.org/10.17188/1675634
Citation Formats
Materials Data on BaSrDy4O8 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1675634.
Materials Data on BaSrDy4O8 by Materials Project. United States. doi:https://doi.org/10.17188/1675634
2019.
"Materials Data on BaSrDy4O8 by Materials Project". United States. doi:https://doi.org/10.17188/1675634. https://www.osti.gov/servlets/purl/1675634. Pub date:Sun Jan 13 04:00:00 UTC 2019
@article{osti_1675634,
title = {Materials Data on BaSrDy4O8 by Materials Project},
abstractNote = {BaSrDy4O8 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–2.94 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.03 Å. There are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Dy–O bond distances ranging from 2.23–2.36 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are a spread of Dy–O bond distances ranging from 2.27–2.39 Å. In the third Dy3+ site, Dy3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are a spread of Dy–O bond distances ranging from 2.27–2.35 Å. In the fourth Dy3+ site, Dy3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Dy–O bond distances ranging from 2.23–2.38 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Dy3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Dy3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three Dy3+ atoms to form a mixture of corner and edge-sharing OSr2Dy3 square pyramids. In the fourth O2- site, O2- is bonded to two equivalent Ba2+ and three Dy3+ atoms to form distorted edge-sharing OBa2Dy3 square pyramids. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Dy3+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Dy3+ atoms. In the seventh O2- site, O2- is bonded to two equivalent Sr2+ and three Dy3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Dy3 trigonal bipyramids. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Dy3+ atoms.},
doi = {10.17188/1675634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}