Crystal structures of two quenched CuInSe phases

書誌事項

公開日
1988-10
権利情報
  • http://onlinelibrary.wiley.com/termsAndConditions#vor
DOI
  • 10.1002/crat.2170231027
公開者
Wiley

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説明

<jats:title>Abstract</jats:title><jats:p>The crystal structures of the δ‐phase with a composition of Cu<jats:sub>0.46</jats:sub>In<jats:sub>1.18</jats:sub>Se<jats:sub>2.00</jats:sub> and of a Cu‐poor β‐phase with a composition of Cu<jats:sub>0.39</jats:sub>In<jats:sub>1.20</jats:sub>Se<jats:sub>2.00</jats:sub>, both quenched from 750 °C, have been determined with single crystals. The δ‐phase crystallizes with <jats:italic>a</jats:italic> = 576.2(4) pm in the ZnS‐type structure (space group F<jats:styled-content>4</jats:styled-content>3m), the β‐phase with <jats:italic>a</jats:italic> = 575.5(3) pm, <jats:italic>c</jats:italic> = 1152.0(4) pm and <jats:italic>Z</jats:italic> = 4 in a new structure type for tetrahedral structures with the space group P<jats:styled-content>4</jats:styled-content>2c. In both compounds the cations are statistically distributed together with vacancies. The number of vacancies is estimated from the crystal structure analyses and results to be (Cu<jats:sub>0.54(2)</jats:sub>In<jats:sub>1.15(2)□0.30(2)</jats:sub>) Se<jats:sub>2</jats:sub> for the δ‐phase and (Cu<jats:sub>0.36</jats:sub>In<jats:sub>1.09□0.55</jats:sub>) (Se<jats:sub>1.80□0.20</jats:sub>) for the Cu‐poor β‐phase.</jats:p>

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