Materials Data on KY(CO3)4 by Materials Project
Abstract
KY(CO3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.58 Å) and four longer (3.32 Å) K–O bond lengths. Y is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.37 Å) and four longer (2.38 Å) Y–O bond lengths. C is bonded in a distorted bent 120 degrees geometry to two O atoms. Both C–O bond lengths are 1.26 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom. In the second O site, O is bonded in a single-bond geometry to one K atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one K, one Y, and one C atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1204855
- 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; KY(CO3)4; C-K-O-Y
- OSTI Identifier:
- 1651538
- DOI:
- https://doi.org/10.17188/1651538
Citation Formats
The Materials Project. Materials Data on KY(CO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651538.
The Materials Project. Materials Data on KY(CO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1651538
The Materials Project. 2020.
"Materials Data on KY(CO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1651538. https://www.osti.gov/servlets/purl/1651538. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1651538,
title = {Materials Data on KY(CO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {KY(CO3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.58 Å) and four longer (3.32 Å) K–O bond lengths. Y is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.37 Å) and four longer (2.38 Å) Y–O bond lengths. C is bonded in a distorted bent 120 degrees geometry to two O atoms. Both C–O bond lengths are 1.26 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom. In the second O site, O is bonded in a single-bond geometry to one K atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one K, one Y, and one C atom.},
doi = {10.17188/1651538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}