| Structural Phase Transitions on AgCuS Stromeyerite Mineral under Compression. | |
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MedLine Citation:
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PMID: 23244465 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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The structural behavior of mineral Stromeyerite, AgCuS, has been studied by means of angle-dispersive X-ray diffraction measurements up to 13 GPa and ab initio total-energy calculations. Two high-pressure phase transitions are found at 1.4 and 5.7 GPa, from the initial distorted Ni(2)In-type phase (AuRbS-type, RP, space group Cmc2(1)) through an anti-PbClF-type phase (HP1, space group P4/nmm) to a monoclinic distortion of this latter phase (HP2, space group P2(1)/m). The collapse of the metal-metal interatomic distances at the RP-HP1 transition suggests a stronger metallic behavior of the high-pressure phase. The compressibility of the lattice parameters and the equation of state of the first pressure-induced phase have been experimentally determined. First-principles calculations present an overall agreement with the experimental results in terms of the high-pressure sequence and provide chemical insight into the AgCuS behavior under hydrostatic pressure. |
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Authors:
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D Santamaria-Perez; A Morales-Garcia; D Martinez-Garcia; B Garcia-Domene; C Mühle; M Jansen |
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Publication Detail:
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Type: JOURNAL ARTICLE Date: 2012-12-17 |
Journal Detail:
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Title: Inorganic chemistry Volume: - ISSN: 1520-510X ISO Abbreviation: Inorg Chem Publication Date: 2012 Dec |
Date Detail:
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Created Date: 2012-12-18 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0366543 Medline TA: Inorg Chem Country: - |
Other Details:
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Languages: ENG Pagination: - Citation Subset: - |
Affiliation:
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Departamento de Química-Física I, Universidad Complutense de Madrid , Avenida Complutense s/n, 28040 Madrid, Spain. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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