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Title: Materials Data on Gd3Te2NO by Materials Project

Abstract

Gd3NTe2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 4-coordinate geometry to one N3-, two equivalent Te2-, and three equivalent O2- atoms. The Gd–N bond length is 2.33 Å. Both Gd–Te bond lengths are 3.50 Å. There are one shorter (2.31 Å) and two longer (2.32 Å) Gd–O bond lengths. In the second Gd3+ site, Gd3+ is bonded in a 3-coordinate geometry to two equivalent N3-, one Te2-, and one O2- atom. Both Gd–N bond lengths are 2.33 Å. The Gd–Te bond length is 3.33 Å. The Gd–O bond length is 2.24 Å. In the third Gd3+ site, Gd3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Gd–N bond length is 2.16 Å. There are a spread of Gd–Te bond distances ranging from 3.10–3.29 Å. N3- is bonded to four Gd3+ atoms to form NGd4 tetrahedra that share a cornercorner with one OGd4 tetrahedra, corners with two equivalent NGd4 tetrahedra, and edges with two equivalent OGd4 tetrahedra. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinatemore » geometry to two equivalent Gd3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to six Gd3+ atoms. O2- is bonded to four Gd3+ atoms to form distorted OGd4 tetrahedra that share a cornercorner with one NGd4 tetrahedra, corners with two equivalent OGd4 tetrahedra, edges with two equivalent NGd4 tetrahedra, and edges with two equivalent OGd4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1194646
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; Gd3Te2NO; Gd-N-O-Te
OSTI Identifier:
1722337
DOI:
https://doi.org/10.17188/1722337

Citation Formats

The Materials Project. Materials Data on Gd3Te2NO by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1722337.
The Materials Project. Materials Data on Gd3Te2NO by Materials Project. United States. doi:https://doi.org/10.17188/1722337
The Materials Project. 2019. "Materials Data on Gd3Te2NO by Materials Project". United States. doi:https://doi.org/10.17188/1722337. https://www.osti.gov/servlets/purl/1722337. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1722337,
title = {Materials Data on Gd3Te2NO by Materials Project},
author = {The Materials Project},
abstractNote = {Gd3NTe2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 4-coordinate geometry to one N3-, two equivalent Te2-, and three equivalent O2- atoms. The Gd–N bond length is 2.33 Å. Both Gd–Te bond lengths are 3.50 Å. There are one shorter (2.31 Å) and two longer (2.32 Å) Gd–O bond lengths. In the second Gd3+ site, Gd3+ is bonded in a 3-coordinate geometry to two equivalent N3-, one Te2-, and one O2- atom. Both Gd–N bond lengths are 2.33 Å. The Gd–Te bond length is 3.33 Å. The Gd–O bond length is 2.24 Å. In the third Gd3+ site, Gd3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Gd–N bond length is 2.16 Å. There are a spread of Gd–Te bond distances ranging from 3.10–3.29 Å. N3- is bonded to four Gd3+ atoms to form NGd4 tetrahedra that share a cornercorner with one OGd4 tetrahedra, corners with two equivalent NGd4 tetrahedra, and edges with two equivalent OGd4 tetrahedra. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Gd3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to six Gd3+ atoms. O2- is bonded to four Gd3+ atoms to form distorted OGd4 tetrahedra that share a cornercorner with one NGd4 tetrahedra, corners with two equivalent OGd4 tetrahedra, edges with two equivalent NGd4 tetrahedra, and edges with two equivalent OGd4 tetrahedra.},
doi = {10.17188/1722337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}