U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbCO4 by Materials Project
Abstract
TbCO4 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.35–2.59 Å. In the second Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.36–2.57 Å. In the third Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.35–2.56 Å. There are six inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.29 Å. In the fourth C4+ site, C4+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199683
- 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; TbCO4; C-O-Tb
- OSTI Identifier:
- 1685926
- DOI:
- https://doi.org/10.17188/1685926
Citation Formats
The Materials Project. Materials Data on TbCO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685926.
The Materials Project. Materials Data on TbCO4 by Materials Project. United States. doi:https://doi.org/10.17188/1685926
The Materials Project. 2020.
"Materials Data on TbCO4 by Materials Project". United States. doi:https://doi.org/10.17188/1685926. https://www.osti.gov/servlets/purl/1685926. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1685926,
title = {Materials Data on TbCO4 by Materials Project},
author = {The Materials Project},
abstractNote = {TbCO4 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.35–2.59 Å. In the second Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.36–2.57 Å. In the third Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.35–2.56 Å. There are six inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.29 Å. In the fourth C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.29 Å. In the fifth C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the sixth C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. There are seventeen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the thirteenth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Tb4+ atoms. In the fourteenth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Tb4+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Tb4+ atoms. In the sixteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Tb4+ atoms. In the seventeenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Tb4+ atoms.},
doi = {10.17188/1685926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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