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Title: High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I

Abstract

Here, the high pressure properties of the novel tetrel-free clathrate, Ba 8Cu 13.1Zn 3.3P 29.6, were investigated using synchrotron powder X-ray diffraction. The pressure was applied using a diamond anvil cell. No structural transitions or decomposition were detected in the studied pressure range of 0.1–7 GPa. The calculated bulk modulus for Ba 8Cu 13.1Zn 3.3P 29.6 using a third-order Birch-Murnaghan equation of state is 65(6) GPa at 300 K. This bulk modulus is comparable to the bulk moduli of Ge- and Sn-based clathrates, like A 8Ga 16Ge 30 (A = Sr, Ba) and Sn 19.3Cu 4.7P 22I 8, but lower than those for the transition metal-containing silicon-based clathrates, Ba 8 T xSi46–x, T = Ni, Cu; 3 ≤ x ≤ 5.

Authors:
 [1];  [1]
  1. Univ. of California, Davis, CA (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1326102
Resource Type:
Accepted Manuscript
Journal Name:
Materials
Additional Journal Information:
Journal Volume: 9; Journal Issue: 8; Journal ID: ISSN 1996-1944
Publisher:
MDPI
Country of Publication:
United States
Language:
ENGLISH
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; clathrate; high pressure; powder X-ray diffraction; bulk modulus

Citation Formats

Dolyniuk, Juli -Anna, and Kovnir, Kirill. High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I. United States: N. p., 2016. Web. doi:10.3390/ma9080692.
Dolyniuk, Juli -Anna, & Kovnir, Kirill. High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I. United States. doi:10.3390/ma9080692.
Dolyniuk, Juli -Anna, and Kovnir, Kirill. Fri . "High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I". United States. doi:10.3390/ma9080692. https://www.osti.gov/servlets/purl/1326102.
@article{osti_1326102,
title = {High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I},
author = {Dolyniuk, Juli -Anna and Kovnir, Kirill},
abstractNote = {Here, the high pressure properties of the novel tetrel-free clathrate, Ba8Cu13.1Zn3.3P29.6, were investigated using synchrotron powder X-ray diffraction. The pressure was applied using a diamond anvil cell. No structural transitions or decomposition were detected in the studied pressure range of 0.1–7 GPa. The calculated bulk modulus for Ba8Cu13.1Zn3.3P29.6 using a third-order Birch-Murnaghan equation of state is 65(6) GPa at 300 K. This bulk modulus is comparable to the bulk moduli of Ge- and Sn-based clathrates, like A8Ga16Ge30 (A = Sr, Ba) and Sn19.3Cu4.7P22I8, but lower than those for the transition metal-containing silicon-based clathrates, Ba8TxSi46–x, T = Ni, Cu; 3 ≤ x ≤ 5.},
doi = {10.3390/ma9080692},
journal = {Materials},
number = 8,
volume = 9,
place = {United States},
year = {2016},
month = {8}
}

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