skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ga3Pb5F19 by Materials Project

Abstract

Ga3Pb5F19 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ga–F bond distances ranging from 1.90–1.99 Å. In the second Ga3+ site, Ga3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ga–F bond distances ranging from 1.89–1.95 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to seven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.38–3.06 Å. In the second Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.46–2.96 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ga3+ and two equivalent Pb2+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometrymore » to one Ga3+ and two equivalent Pb2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Ga3+ and two equivalent Pb2+ atoms. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to one Ga3+ and two Pb2+ atoms. In the sixth F1- site, F1- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Ga3+ and two equivalent Pb2+ atoms.« less

Publication Date:
Other Number(s):
mp-556117
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; Ga3Pb5F19; F-Ga-Pb
OSTI Identifier:
1269180
DOI:
10.17188/1269180

Citation Formats

The Materials Project. Materials Data on Ga3Pb5F19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269180.
The Materials Project. Materials Data on Ga3Pb5F19 by Materials Project. United States. doi:10.17188/1269180.
The Materials Project. 2020. "Materials Data on Ga3Pb5F19 by Materials Project". United States. doi:10.17188/1269180. https://www.osti.gov/servlets/purl/1269180. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269180,
title = {Materials Data on Ga3Pb5F19 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga3Pb5F19 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ga–F bond distances ranging from 1.90–1.99 Å. In the second Ga3+ site, Ga3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ga–F bond distances ranging from 1.89–1.95 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to seven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.38–3.06 Å. In the second Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.46–2.96 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ga3+ and two equivalent Pb2+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Ga3+ and two equivalent Pb2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Ga3+ and two equivalent Pb2+ atoms. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to one Ga3+ and two Pb2+ atoms. In the sixth F1- site, F1- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Ga3+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1269180},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: