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Title: Materials Data on KNdTe2 by Materials Project

Abstract

KNdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Te2- atoms to form KTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All K–Te bond lengths are 3.56 Å. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Nd–Te bond lengths are 3.20 Å. Te2- is bonded to three equivalent K1+ and three equivalent Nd3+ atoms to form a mixture of corner and edge-sharing TeK3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-11740
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; KNdTe2; K-Nd-Te
OSTI Identifier:
1188341
DOI:
10.17188/1188341

Citation Formats

The Materials Project. Materials Data on KNdTe2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1188341.
The Materials Project. Materials Data on KNdTe2 by Materials Project. United States. doi:10.17188/1188341.
The Materials Project. 2017. "Materials Data on KNdTe2 by Materials Project". United States. doi:10.17188/1188341. https://www.osti.gov/servlets/purl/1188341. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1188341,
title = {Materials Data on KNdTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {KNdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Te2- atoms to form KTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All K–Te bond lengths are 3.56 Å. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Nd–Te bond lengths are 3.20 Å. Te2- is bonded to three equivalent K1+ and three equivalent Nd3+ atoms to form a mixture of corner and edge-sharing TeK3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1188341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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