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Title: Materials Data on Gd3Se4O12F by Materials Project

Abstract

Gd3Se4O12F crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to eight O2- and one F1- atom. There are a spread of Gd–O bond distances ranging from 2.38–2.59 Å. The Gd–F bond length is 2.39 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.72 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Se4+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Gd3+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1270867
Report Number(s):
mp-559447
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Gd3Se4O12F; F-Gd-O-Se

Citation Formats

The Materials Project. Materials Data on Gd3Se4O12F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270867.
The Materials Project. Materials Data on Gd3Se4O12F by Materials Project. United States. https://doi.org/10.17188/1270867
The Materials Project. 2020. "Materials Data on Gd3Se4O12F by Materials Project". United States. https://doi.org/10.17188/1270867. https://www.osti.gov/servlets/purl/1270867.
@article{osti_1270867,
title = {Materials Data on Gd3Se4O12F by Materials Project},
author = {The Materials Project},
abstractNote = {Gd3Se4O12F crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to eight O2- and one F1- atom. There are a spread of Gd–O bond distances ranging from 2.38–2.59 Å. The Gd–F bond length is 2.39 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.72 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Se4+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Gd3+ atoms.},
doi = {10.17188/1270867},
url = {https://www.osti.gov/biblio/1270867}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}