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Title: Materials Data on Gd2Se2O by Materials Project

Abstract

Gd2Se2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 3-coordinate geometry to five Se2- and three equivalent O2- atoms. There are a spread of Gd–Se bond distances ranging from 3.06–3.21 Å. There are one shorter (2.32 Å) and two longer (2.34 Å) Gd–O bond lengths. In the second Gd3+ site, Gd3+ is bonded to five Se2- and one O2- atom to form a mixture of distorted corner and edge-sharing GdSe5O octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Gd–Se bond distances ranging from 2.84–2.97 Å. The Gd–O bond length is 2.27 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to five Gd3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Gd3+ atoms. O2- is bonded to four Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra.

Publication Date:
Other Number(s):
mp-669388
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; Gd2Se2O; Gd-O-Se
OSTI Identifier:
1281607
DOI:
10.17188/1281607

Citation Formats

The Materials Project. Materials Data on Gd2Se2O by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1281607.
The Materials Project. Materials Data on Gd2Se2O by Materials Project. United States. doi:10.17188/1281607.
The Materials Project. 2014. "Materials Data on Gd2Se2O by Materials Project". United States. doi:10.17188/1281607. https://www.osti.gov/servlets/purl/1281607. Pub date:Sun May 04 00:00:00 EDT 2014
@article{osti_1281607,
title = {Materials Data on Gd2Se2O by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2Se2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 3-coordinate geometry to five Se2- and three equivalent O2- atoms. There are a spread of Gd–Se bond distances ranging from 3.06–3.21 Å. There are one shorter (2.32 Å) and two longer (2.34 Å) Gd–O bond lengths. In the second Gd3+ site, Gd3+ is bonded to five Se2- and one O2- atom to form a mixture of distorted corner and edge-sharing GdSe5O octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Gd–Se bond distances ranging from 2.84–2.97 Å. The Gd–O bond length is 2.27 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to five Gd3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Gd3+ atoms. O2- is bonded to four Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra.},
doi = {10.17188/1281607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {5}
}

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