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Title: Materials Data on K(SeO3)2 by Materials Project

Abstract

K(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two K(SeO3)2 sheets oriented in the (0, 1, 0) direction. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.66–3.12 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.90 Å. In the second Se site, Se is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.86 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Se atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Se atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent K and one Se atom. In the fifth O site, O is bonded inmore » a 3-coordinate geometry to two equivalent K and one Se atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one K and two Se atoms.« less

Publication Date:
Other Number(s):
mp-1212297
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; K(SeO3)2; K-O-Se
OSTI Identifier:
1710620
DOI:
https://doi.org/10.17188/1710620

Citation Formats

The Materials Project. Materials Data on K(SeO3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1710620.
The Materials Project. Materials Data on K(SeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1710620
The Materials Project. 2019. "Materials Data on K(SeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1710620. https://www.osti.gov/servlets/purl/1710620. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1710620,
title = {Materials Data on K(SeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two K(SeO3)2 sheets oriented in the (0, 1, 0) direction. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.66–3.12 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.90 Å. In the second Se site, Se is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.86 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Se atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Se atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent K and one Se atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent K and one Se atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one K and two Se atoms.},
doi = {10.17188/1710620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}