Phase transition and structure of silver azide at high pressure

Silver azide (AgN 3 ) was compressed up to 51.3 GPa. The results reveal a reversible second-order orthorhombic-to-tetragonal phase transformation starting from ambient pressure and completing at 2.7 GPa. The phase transition is accompanied by a proximity of cell parameters a and b , a 3° rotation of...

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Veröffentlicht in:Journal of applied physics 2011-07, Vol.110 (2), p.023524-023524-6
Hauptverfasser: Hou, Dongbin, Zhang, Fuxiang, Ji, Cheng, Hannon, Trevor, Zhu, Hongyang, Wu, Jianzhe, Levitas, Valery I., Ma, Yanzhang
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container_issue 2
container_start_page 023524
container_title Journal of applied physics
container_volume 110
creator Hou, Dongbin
Zhang, Fuxiang
Ji, Cheng
Hannon, Trevor
Zhu, Hongyang
Wu, Jianzhe
Levitas, Valery I.
Ma, Yanzhang
description Silver azide (AgN 3 ) was compressed up to 51.3 GPa. The results reveal a reversible second-order orthorhombic-to-tetragonal phase transformation starting from ambient pressure and completing at 2.7 GPa. The phase transition is accompanied by a proximity of cell parameters a and b , a 3° rotation of azide anions, and a change of coordination number from 4-4 (four short, four long) to eight fold. The crystal structure of the high pressure phase is determined to be in I 4 /mcm space group, with Ag at 4a , N 1 at 4d , and N 2 at 8h Wyckoff positions. Both of the two phases have anisotropic compressibility: the orthorhombic phase exhibits an anomalous expansion under compression along a -axis and is more compressive along b -axis than c -axis; the tetragonal phase is more compressive along the interlayer direction than the intralayer directions. The bulk moduli of the orthorhombic and tetragonal phases are determined to be K OT =39±5 GPa with K OT '=10±7 and K OT =57±2 GPa with K OT '=6.6±0.2, respectively.
doi_str_mv 10.1063/1.3610501
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The results reveal a reversible second-order orthorhombic-to-tetragonal phase transformation starting from ambient pressure and completing at 2.7 GPa. The phase transition is accompanied by a proximity of cell parameters a and b , a 3° rotation of azide anions, and a change of coordination number from 4-4 (four short, four long) to eight fold. The crystal structure of the high pressure phase is determined to be in I 4 /mcm space group, with Ag at 4a , N 1 at 4d , and N 2 at 8h Wyckoff positions. Both of the two phases have anisotropic compressibility: the orthorhombic phase exhibits an anomalous expansion under compression along a -axis and is more compressive along b -axis than c -axis; the tetragonal phase is more compressive along the interlayer direction than the intralayer directions. The bulk moduli of the orthorhombic and tetragonal phases are determined to be K OT =39±5 GPa with K OT '=10±7 and K OT =57±2 GPa with K OT '=6.6±0.2, respectively.</abstract><cop>United States</cop><pub>American Institute of Physics</pub><doi>10.1063/1.3610501</doi><oa>free_for_read</oa></addata></record>
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subjects ANIONS
AZIDES
COMPRESSIBILITY
COMPRESSION
COORDINATION NUMBER
CRYSTAL STRUCTURE
EXPANSION
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
ORTHORHOMBIC LATTICES
PHASE TRANSFORMATIONS
PRESSURE RANGE MEGA PA 10-100
ROTATION
SILVER COMPOUNDS
SPACE GROUPS
TETRAGONAL LATTICES
title Phase transition and structure of silver azide at high pressure
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