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Title: Materials Data on KLiSb3O8 by Materials Project

Abstract

KLiSb3O8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.81–3.28 Å. In the second K site, K is bonded in a 3-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.82–3.32 Å. There are two inequivalent Li sites. In the first Li site, Li is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.98–2.58 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.92–2.58 Å. There are six inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Sb–O bond distances ranging from 1.89–2.16 Å. In the second Sb site, Sb is bonded to six O atoms to form a mixturemore » of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of Sb–O bond distances ranging from 1.95–2.20 Å. In the third Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Sb–O bond distances ranging from 2.11–2.35 Å. In the fourth Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–50°. There are a spread of Sb–O bond distances ranging from 1.98–2.15 Å. In the fifth Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Sb–O bond distances ranging from 1.97–2.16 Å. In the sixth Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Sb–O bond distances ranging from 1.98–2.18 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two K, one Li, and two Sb atoms. In the second O site, O is bonded in a 2-coordinate geometry to two K, one Li, and two Sb atoms. In the third O site, O is bonded in a 3-coordinate geometry to one K and three Sb atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Sb atoms. In the fifth O site, O is bonded in a 2-coordinate geometry to two K, one Li, and two Sb atoms. In the sixth O site, O is bonded in a distorted trigonal pyramidal geometry to one K and three Sb atoms. In the seventh O site, O is bonded in a trigonal planar geometry to one Li and two Sb atoms. In the eighth O site, O is bonded in a trigonal planar geometry to two Li and one Sb atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the tenth O site, O is bonded in a trigonal planar geometry to three Sb atoms. In the eleventh O site, O is bonded in a 5-coordinate geometry to two K, one Li, and two Sb atoms. In the twelfth O site, O is bonded in a 4-coordinate geometry to two K, one Li, and two Sb atoms. In the thirteenth O site, O is bonded in a trigonal planar geometry to one Li and two Sb atoms. In the fourteenth O site, O is bonded in a trigonal planar geometry to one Li and two Sb atoms. In the fifteenth O site, O is bonded in a 4-coordinate geometry to one K and three Sb atoms. In the sixteenth O site, O is bonded in a 3-coordinate geometry to one K, one Li, and two Sb atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-767424
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; KLiSb3O8; K-Li-O-Sb
OSTI Identifier:
1282031
DOI:
10.17188/1282031

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KLiSb3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282031.
Persson, Kristin, & Project, Materials. Materials Data on KLiSb3O8 by Materials Project. United States. doi:10.17188/1282031.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KLiSb3O8 by Materials Project". United States. doi:10.17188/1282031. https://www.osti.gov/servlets/purl/1282031. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1282031,
title = {Materials Data on KLiSb3O8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KLiSb3O8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.81–3.28 Å. In the second K site, K is bonded in a 3-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.82–3.32 Å. There are two inequivalent Li sites. In the first Li site, Li is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.98–2.58 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.92–2.58 Å. There are six inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Sb–O bond distances ranging from 1.89–2.16 Å. In the second Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of Sb–O bond distances ranging from 1.95–2.20 Å. In the third Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Sb–O bond distances ranging from 2.11–2.35 Å. In the fourth Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–50°. There are a spread of Sb–O bond distances ranging from 1.98–2.15 Å. In the fifth Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Sb–O bond distances ranging from 1.97–2.16 Å. In the sixth Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Sb–O bond distances ranging from 1.98–2.18 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two K, one Li, and two Sb atoms. In the second O site, O is bonded in a 2-coordinate geometry to two K, one Li, and two Sb atoms. In the third O site, O is bonded in a 3-coordinate geometry to one K and three Sb atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Sb atoms. In the fifth O site, O is bonded in a 2-coordinate geometry to two K, one Li, and two Sb atoms. In the sixth O site, O is bonded in a distorted trigonal pyramidal geometry to one K and three Sb atoms. In the seventh O site, O is bonded in a trigonal planar geometry to one Li and two Sb atoms. In the eighth O site, O is bonded in a trigonal planar geometry to two Li and one Sb atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the tenth O site, O is bonded in a trigonal planar geometry to three Sb atoms. In the eleventh O site, O is bonded in a 5-coordinate geometry to two K, one Li, and two Sb atoms. In the twelfth O site, O is bonded in a 4-coordinate geometry to two K, one Li, and two Sb atoms. In the thirteenth O site, O is bonded in a trigonal planar geometry to one Li and two Sb atoms. In the fourteenth O site, O is bonded in a trigonal planar geometry to one Li and two Sb atoms. In the fifteenth O site, O is bonded in a 4-coordinate geometry to one K and three Sb atoms. In the sixteenth O site, O is bonded in a 3-coordinate geometry to one K, one Li, and two Sb atoms.},
doi = {10.17188/1282031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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