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Title: Materials Data on K6Bi6O19 by Materials Project

Abstract

K6Bi6O19 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three 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 2.79–3.11 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.69–3.29 Å. In the third K site, K is bonded in a 4-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.67–3.14 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of Bi–O bond distances ranging from 2.15–2.17 Å. In the second Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Bi–O bond distances ranging from 2.12–2.18 Å. In the third Bi site, Bi is bondedmore » to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. In the fourth Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent K and two Bi atoms. In the second O site, O is bonded in a 3-coordinate geometry to two K and two Bi atoms. In the third O site, O is bonded to two K and two Bi atoms to form distorted corner-sharing OK2Bi2 trigonal pyramids. In the fourth O site, O is bonded to two K and two Bi atoms to form distorted corner-sharing OK2Bi2 tetrahedra. In the fifth O site, O is bonded in a 4-coordinate geometry to two K and two Bi atoms. In the sixth O site, O is bonded in a 6-coordinate geometry to six K atoms. In the seventh O site, O is bonded in a distorted water-like geometry to four K and two equivalent Bi atoms. In the eighth O site, O is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Bi atoms. In the ninth O site, O is bonded in a 2-coordinate geometry to three K and two equivalent Bi atoms. In the tenth O site, O is bonded in a distorted water-like geometry to three K and two Bi atoms. In the eleventh O site, O is bonded in a 2-coordinate geometry to two K and two Bi atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224134
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; K6Bi6O19; Bi-K-O
OSTI Identifier:
1680498
DOI:
https://doi.org/10.17188/1680498

Citation Formats

The Materials Project. Materials Data on K6Bi6O19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680498.
The Materials Project. Materials Data on K6Bi6O19 by Materials Project. United States. doi:https://doi.org/10.17188/1680498
The Materials Project. 2020. "Materials Data on K6Bi6O19 by Materials Project". United States. doi:https://doi.org/10.17188/1680498. https://www.osti.gov/servlets/purl/1680498. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1680498,
title = {Materials Data on K6Bi6O19 by Materials Project},
author = {The Materials Project},
abstractNote = {K6Bi6O19 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three 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 2.79–3.11 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.69–3.29 Å. In the third K site, K is bonded in a 4-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.67–3.14 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of Bi–O bond distances ranging from 2.15–2.17 Å. In the second Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Bi–O bond distances ranging from 2.12–2.18 Å. In the third Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. In the fourth Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent K and two Bi atoms. In the second O site, O is bonded in a 3-coordinate geometry to two K and two Bi atoms. In the third O site, O is bonded to two K and two Bi atoms to form distorted corner-sharing OK2Bi2 trigonal pyramids. In the fourth O site, O is bonded to two K and two Bi atoms to form distorted corner-sharing OK2Bi2 tetrahedra. In the fifth O site, O is bonded in a 4-coordinate geometry to two K and two Bi atoms. In the sixth O site, O is bonded in a 6-coordinate geometry to six K atoms. In the seventh O site, O is bonded in a distorted water-like geometry to four K and two equivalent Bi atoms. In the eighth O site, O is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Bi atoms. In the ninth O site, O is bonded in a 2-coordinate geometry to three K and two equivalent Bi atoms. In the tenth O site, O is bonded in a distorted water-like geometry to three K and two Bi atoms. In the eleventh O site, O is bonded in a 2-coordinate geometry to two K and two Bi atoms.},
doi = {10.17188/1680498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}