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Title: 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.

Publication Date:
Other Number(s):
mp-1204855
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}