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Title: Materials Data on NdPb7F17 by Materials Project

Abstract

NdPb7F17 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Nd3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Nd–F bond distances ranging from 2.35–2.79 Å. There are seven inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.30–2.84 Å. In the second Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–2.71 Å. In the third Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.49–2.71 Å. In the fourth Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–2.70 Å. In the fifth Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.49–2.70 Å. In the sixth Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eightmore » F1- atoms. There are a spread of Pb–F bond distances ranging from 2.49–2.75 Å. In the seventh Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.44–2.79 Å. There are seventeen inequivalent F1- sites. In the first F1- site, F1- is bonded to four Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with thirteen FPb4 tetrahedra and edges with six FNdPb3 tetrahedra. In the second F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the third F1- site, F1- is bonded to four Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with fifteen FNdPb3 tetrahedra and edges with six FPb4 tetrahedra. In the fourth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the fifth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the sixth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the seventh F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the eighth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the ninth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the tenth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the eleventh F1- site, F1- is bonded in a 4-coordinate geometry to one Nd3+ and three equivalent Pb2+ atoms. In the twelfth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the thirteenth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the fourteenth F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Nd3+ atoms. In the fifteenth F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Nd3+ and one Pb2+ atom. In the sixteenth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Nd3+ atoms. In the seventeenth F1- site, F1- is bonded to one Nd3+ and three equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing FNdPb3 tetrahedra.« less

Publication Date:
Other Number(s):
mp-674506
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; NdPb7F17; F-Nd-Pb
OSTI Identifier:
1282508
DOI:
10.17188/1282508

Citation Formats

The Materials Project. Materials Data on NdPb7F17 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1282508.
The Materials Project. Materials Data on NdPb7F17 by Materials Project. United States. doi:10.17188/1282508.
The Materials Project. 2019. "Materials Data on NdPb7F17 by Materials Project". United States. doi:10.17188/1282508. https://www.osti.gov/servlets/purl/1282508. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1282508,
title = {Materials Data on NdPb7F17 by Materials Project},
author = {The Materials Project},
abstractNote = {NdPb7F17 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Nd3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Nd–F bond distances ranging from 2.35–2.79 Å. There are seven inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.30–2.84 Å. In the second Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–2.71 Å. In the third Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.49–2.71 Å. In the fourth Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–2.70 Å. In the fifth Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.49–2.70 Å. In the sixth Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.49–2.75 Å. In the seventh Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.44–2.79 Å. There are seventeen inequivalent F1- sites. In the first F1- site, F1- is bonded to four Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with thirteen FPb4 tetrahedra and edges with six FNdPb3 tetrahedra. In the second F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the third F1- site, F1- is bonded to four Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with fifteen FNdPb3 tetrahedra and edges with six FPb4 tetrahedra. In the fourth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the fifth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the sixth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the seventh F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the eighth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the ninth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the tenth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the eleventh F1- site, F1- is bonded in a 4-coordinate geometry to one Nd3+ and three equivalent Pb2+ atoms. In the twelfth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the thirteenth F1- site, F1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing FPb4 tetrahedra. In the fourteenth F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Nd3+ atoms. In the fifteenth F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Nd3+ and one Pb2+ atom. In the sixteenth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Nd3+ atoms. In the seventeenth F1- site, F1- is bonded to one Nd3+ and three equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing FNdPb3 tetrahedra.},
doi = {10.17188/1282508},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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