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Title: Materials Data on GdOF by Materials Project

Abstract

GdOF crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to four O2- and two F1- atoms to form a mixture of distorted edge and corner-sharing GdO4F2 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 67–68°. There are two shorter (2.31 Å) and two longer (2.33 Å) Gd–O bond lengths. Both Gd–F bond lengths are 2.29 Å. In the second Gd3+ site, Gd3+ is bonded to four O2- and two F1- atoms to form a mixture of distorted edge and corner-sharing GdO4F2 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Gd–O bond distances ranging from 2.30–2.33 Å. Both Gd–F bond lengths are 2.29 Å. In the third Gd3+ site, Gd3+ is bonded to four O2- and two F1- atoms to form a mixture of distorted edge and corner-sharing GdO4F2 octahedra. There are two shorter (2.31 Å) and two longer (2.33 Å) Gd–O bond lengths. Both Gd–F bond lengths are 2.29 Å. In the fourth Gd3+ site, Gd3+ is bonded to four O2- and two F1- atoms to form a mixture of distorted edge and corner-sharing GdO4F2more » pentagonal pyramids. The corner-sharing octahedral tilt angles are 60°. There are two shorter (2.31 Å) and two longer (2.33 Å) Gd–O bond lengths. Both Gd–F bond lengths are 2.29 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 tetrahedra. In the third O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 tetrahedra. In the fourth O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 tetrahedra. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Gd3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two Gd3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Gd3+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two Gd3+ atoms.« less

Publication Date:
Other Number(s):
mp-779592
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; GdOF; F-Gd-O
OSTI Identifier:
1306439
DOI:
10.17188/1306439

Citation Formats

The Materials Project. Materials Data on GdOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306439.
The Materials Project. Materials Data on GdOF by Materials Project. United States. doi:10.17188/1306439.
The Materials Project. 2020. "Materials Data on GdOF by Materials Project". United States. doi:10.17188/1306439. https://www.osti.gov/servlets/purl/1306439. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1306439,
title = {Materials Data on GdOF by Materials Project},
author = {The Materials Project},
abstractNote = {GdOF crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to four O2- and two F1- atoms to form a mixture of distorted edge and corner-sharing GdO4F2 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 67–68°. There are two shorter (2.31 Å) and two longer (2.33 Å) Gd–O bond lengths. Both Gd–F bond lengths are 2.29 Å. In the second Gd3+ site, Gd3+ is bonded to four O2- and two F1- atoms to form a mixture of distorted edge and corner-sharing GdO4F2 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Gd–O bond distances ranging from 2.30–2.33 Å. Both Gd–F bond lengths are 2.29 Å. In the third Gd3+ site, Gd3+ is bonded to four O2- and two F1- atoms to form a mixture of distorted edge and corner-sharing GdO4F2 octahedra. There are two shorter (2.31 Å) and two longer (2.33 Å) Gd–O bond lengths. Both Gd–F bond lengths are 2.29 Å. In the fourth Gd3+ site, Gd3+ is bonded to four O2- and two F1- atoms to form a mixture of distorted edge and corner-sharing GdO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 60°. There are two shorter (2.31 Å) and two longer (2.33 Å) Gd–O bond lengths. Both Gd–F bond lengths are 2.29 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 tetrahedra. In the third O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 tetrahedra. In the fourth O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 tetrahedra. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Gd3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two Gd3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Gd3+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two Gd3+ atoms.},
doi = {10.17188/1306439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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