U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd2Cd2O5 by Materials Project
Abstract
Nd2Cd2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nd–O bond lengths are 2.61 Å. In the second Nd3+ site, Nd3+ is bonded to twelve O2- atoms to form NdO12 cuboctahedra that share corners with four equivalent NdO12 cuboctahedra, faces with four equivalent NdO12 cuboctahedra, and faces with eight equivalent CdO5 square pyramids. There are four shorter (3.02 Å) and eight longer (3.07 Å) Nd–O bond lengths. Cd2+ is bonded to five O2- atoms to form CdO5 square pyramids that share corners with five equivalent CdO5 square pyramids and faces with four equivalent NdO12 cuboctahedra. There are four shorter (2.14 Å) and one longer (2.16 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to four Nd3+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent Cd2+ atoms.
- Publication Date:
- Other Number(s):
- mp-973773
- 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; Cd-Nd-O; Nd2Cd2O5; crystal structure
- OSTI Identifier:
- 1314207
- DOI:
- https://doi.org/10.17188/1314207
Citation Formats
Materials Data on Nd2Cd2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314207.
Materials Data on Nd2Cd2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1314207
2020.
"Materials Data on Nd2Cd2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1314207. https://www.osti.gov/servlets/purl/1314207. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314207,
title = {Materials Data on Nd2Cd2O5 by Materials Project},
abstractNote = {Nd2Cd2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nd–O bond lengths are 2.61 Å. In the second Nd3+ site, Nd3+ is bonded to twelve O2- atoms to form NdO12 cuboctahedra that share corners with four equivalent NdO12 cuboctahedra, faces with four equivalent NdO12 cuboctahedra, and faces with eight equivalent CdO5 square pyramids. There are four shorter (3.02 Å) and eight longer (3.07 Å) Nd–O bond lengths. Cd2+ is bonded to five O2- atoms to form CdO5 square pyramids that share corners with five equivalent CdO5 square pyramids and faces with four equivalent NdO12 cuboctahedra. There are four shorter (2.14 Å) and one longer (2.16 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to four Nd3+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent Cd2+ atoms.},
doi = {10.17188/1314207},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}