U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaEu2Mn2O7 by Materials Project
Abstract
BaEu2Mn2O7 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, and faces with eight MnO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.74–2.99 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, and faces with eight MnO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.74–2.99 Å. There are four inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.83 Å. In the second Eu3+ site, Eu3+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.83 Å. In the third Eu3+ site, Eu3+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distancesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-579071
- 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; BaEu2Mn2O7; Ba-Eu-Mn-O
- OSTI Identifier:
- 1276664
- DOI:
- https://doi.org/10.17188/1276664
Citation Formats
The Materials Project. Materials Data on BaEu2Mn2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276664.
The Materials Project. Materials Data on BaEu2Mn2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1276664
The Materials Project. 2020.
"Materials Data on BaEu2Mn2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1276664. https://www.osti.gov/servlets/purl/1276664. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1276664,
title = {Materials Data on BaEu2Mn2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {BaEu2Mn2O7 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, and faces with eight MnO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.74–2.99 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, and faces with eight MnO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.74–2.99 Å. There are four inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.83 Å. In the second Eu3+ site, Eu3+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.83 Å. In the third Eu3+ site, Eu3+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.83 Å. In the fourth Eu3+ site, Eu3+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.83 Å. There are four inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five MnO6 octahedra and faces with four BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–12°. There are a spread of Mn–O bond distances ranging from 2.00–2.07 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five MnO6 octahedra and faces with four BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–13°. There are a spread of Mn–O bond distances ranging from 1.99–2.05 Å. In the third Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five MnO6 octahedra and faces with four BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–12°. There are a spread of Mn–O bond distances ranging from 2.00–2.05 Å. In the fourth Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five MnO6 octahedra and faces with four BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–13°. There are a spread of Mn–O bond distances ranging from 2.00–2.05 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ba2+, two Eu3+, and two Mn3+ atoms to form a mixture of distorted edge, face, and corner-sharing OBa2Eu2Mn2 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second O2- site, O2- is bonded to two Ba2+, two Eu3+, and two Mn3+ atoms to form a mixture of distorted edge, face, and corner-sharing OBa2Eu2Mn2 octahedra. The corner-sharing octahedral tilt angles are 59°. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Eu3+ and one Mn3+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Eu3+ and one Mn3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+, two Eu3+, and two Mn3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+, two Eu3+, and two Mn3+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and two Mn3+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to four Eu3+ and one Mn3+ atom. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to four Eu3+ and one Mn3+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and two Mn3+ atoms.},
doi = {10.17188/1276664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}
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