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Title: Materials Data on K2YbSbO7 by Materials Project

Abstract

K2YbSbO7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight O atoms to form KO8 hexagonal bipyramids that share corners with two equivalent KO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, edges with four equivalent KO8 hexagonal bipyramids, edges with two equivalent SbO6 octahedra, and edges with four equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of K–O bond distances ranging from 2.62–3.12 Å. In the second K site, K is bonded to eight O atoms to form distorted KO8 hexagonal bipyramids that share edges with six KO8 hexagonal bipyramids, edges with two equivalent YbO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of K–O bond distances ranging from 2.80–3.13 Å. Yb is bonded to six O atoms to form YbO6 octahedra that share corners with two equivalent YbO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with six KO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 36–52°. There are a spread of Yb–O bond distances ranging from 2.24–2.32 Å. Sb is bonded to six O atoms tomore » form SbO6 octahedra that share corners with two equivalent KO8 hexagonal bipyramids, corners with four equivalent YbO6 octahedra, and edges with six KO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 36–37°. There are a spread of Sb–O bond distances ranging from 1.98–2.00 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one Sb atom. In the second O site, O is bonded in a 2-coordinate geometry to two K, one Yb, and one Sb atom. In the third O site, O is bonded in a 2-coordinate geometry to two K, one Yb, and one Sb atom. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K and two equivalent Yb atoms. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one Sb atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and two equivalent Yb atoms.« less

Publication Date:
Other Number(s):
mp-1211483
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; K2YbSbO7; K-O-Sb-Yb
OSTI Identifier:
1699572
DOI:
https://doi.org/10.17188/1699572

Citation Formats

The Materials Project. Materials Data on K2YbSbO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699572.
The Materials Project. Materials Data on K2YbSbO7 by Materials Project. United States. doi:https://doi.org/10.17188/1699572
The Materials Project. 2020. "Materials Data on K2YbSbO7 by Materials Project". United States. doi:https://doi.org/10.17188/1699572. https://www.osti.gov/servlets/purl/1699572. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1699572,
title = {Materials Data on K2YbSbO7 by Materials Project},
author = {The Materials Project},
abstractNote = {K2YbSbO7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight O atoms to form KO8 hexagonal bipyramids that share corners with two equivalent KO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, edges with four equivalent KO8 hexagonal bipyramids, edges with two equivalent SbO6 octahedra, and edges with four equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of K–O bond distances ranging from 2.62–3.12 Å. In the second K site, K is bonded to eight O atoms to form distorted KO8 hexagonal bipyramids that share edges with six KO8 hexagonal bipyramids, edges with two equivalent YbO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of K–O bond distances ranging from 2.80–3.13 Å. Yb is bonded to six O atoms to form YbO6 octahedra that share corners with two equivalent YbO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with six KO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 36–52°. There are a spread of Yb–O bond distances ranging from 2.24–2.32 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent KO8 hexagonal bipyramids, corners with four equivalent YbO6 octahedra, and edges with six KO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 36–37°. There are a spread of Sb–O bond distances ranging from 1.98–2.00 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one Sb atom. In the second O site, O is bonded in a 2-coordinate geometry to two K, one Yb, and one Sb atom. In the third O site, O is bonded in a 2-coordinate geometry to two K, one Yb, and one Sb atom. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K and two equivalent Yb atoms. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one Sb atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and two equivalent Yb atoms.},
doi = {10.17188/1699572},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}