Synthesis, Structure, and Chemical Bonding in CaCoSi
The intermetallic compound CaCoSi was synthesized by solid state synthesis and investigated by means of X‐ray diffraction (both powder and single crystal method): PbClF type structure, P4/nmm (No.129): a = 3.977(1) Å, c = 7.089(5) Å, R1 = 0.0303, 121 F2, 9 variable parameters. CaCoSi contains isolat...
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| Veröffentlicht in: | Zeitschrift für anorganische und allgemeine Chemie (1950) 2014-11, Vol.640 (14), p.2882-2888 |
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| container_title | Zeitschrift für anorganische und allgemeine Chemie (1950) |
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| creator | Hoffmann, Andrea V. Hlukhyy, Viktor Fässler, Thomas F. |
| description | The intermetallic compound CaCoSi was synthesized by solid state synthesis and investigated by means of X‐ray diffraction (both powder and single crystal method): PbClF type structure, P4/nmm (No.129): a = 3.977(1) Å, c = 7.089(5) Å, R1 = 0.0303, 121 F2, 9 variable parameters. CaCoSi contains isolated [CoSi]2– 2D layers in the ab plane, which are separated by Ca2+ cations along the c direction. The crystal chemistry and chemical bonding of CaCoSi are discussed in terms of LMTO band structure calculation and analyzed using the Electron Localization Function (ELF). |
| doi_str_mv | 10.1002/zaac.201400356 |
| format | Article |
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CaCoSi contains isolated [CoSi]2– 2D layers in the ab plane, which are separated by Ca2+ cations along the c direction. The crystal chemistry and chemical bonding of CaCoSi are discussed in terms of LMTO band structure calculation and analyzed using the Electron Localization Function (ELF).</description><identifier>ISSN: 0044-2313</identifier><identifier>EISSN: 1521-3749</identifier><identifier>DOI: 10.1002/zaac.201400356</identifier><language>eng</language><publisher>Weinheim: WILEY-VCH Verlag</publisher><subject>Chemical bonding ; ELF (Electron Localization Function) ; Germanide ; Intermetallic compound</subject><ispartof>Zeitschrift für anorganische und allgemeine Chemie (1950), 2014-11, Vol.640 (14), p.2882-2888</ispartof><rights>Copyright © 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim</rights><rights>Copyright © 2014 WILEY-VCH Verlag GmbH & Co. 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Chem</addtitle><description>The intermetallic compound CaCoSi was synthesized by solid state synthesis and investigated by means of X‐ray diffraction (both powder and single crystal method): PbClF type structure, P4/nmm (No.129): a = 3.977(1) Å, c = 7.089(5) Å, R1 = 0.0303, 121 F2, 9 variable parameters. CaCoSi contains isolated [CoSi]2– 2D layers in the ab plane, which are separated by Ca2+ cations along the c direction. The crystal chemistry and chemical bonding of CaCoSi are discussed in terms of LMTO band structure calculation and analyzed using the Electron Localization Function (ELF).</description><subject>Chemical bonding</subject><subject>ELF (Electron Localization Function)</subject><subject>Germanide</subject><subject>Intermetallic compound</subject><issn>0044-2313</issn><issn>1521-3749</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNqFkDtPwzAURi0EEqWwMkdibcr1M8nYRlAeFQwFIbFYju1QlzYpdiIov55WQRUb013O-a50EDrHMMQA5PJbKT0kgBkA5eIA9TAnOKYJyw5RD4CxmFBMj9FJCAsAwMB5D7HZpmrmNrgwiGaNb3XTejuIVGWifG5XTqtlNK4r46q3yFVRrvJ65k7RUamWwZ793j56vr56ym_i6ePkNh9NY80yLGJrM2twWaQgDOGcJAWUOOWCJ4KkKU1FpqzSoBOq06I01KqCpVoobbApSMZpH110u2tff7Q2NHJRt77avpRYEMIZBSy21LCjtK9D8LaUa-9Wym8kBrkrI3dl5L7MVsg64dMt7eYfWr6ORvlfN-5cFxr7tXeVf5cioQmXLw8TeT8mdxOOmWT0B_AQdJg</recordid><startdate>201411</startdate><enddate>201411</enddate><creator>Hoffmann, Andrea V.</creator><creator>Hlukhyy, Viktor</creator><creator>Fässler, Thomas F.</creator><general>WILEY-VCH Verlag</general><general>WILEY‐VCH Verlag</general><general>Wiley Subscription Services, Inc</general><scope>BSCLL</scope><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>201411</creationdate><title>Synthesis, Structure, and Chemical Bonding in CaCoSi</title><author>Hoffmann, Andrea V. ; Hlukhyy, Viktor ; Fässler, Thomas F.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c4916-ee9ed1fb806d25527b0f18565762883869aeac0c73c8bfd3eab48c6acd1db2953</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Chemical bonding</topic><topic>ELF (Electron Localization Function)</topic><topic>Germanide</topic><topic>Intermetallic compound</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Hoffmann, Andrea V.</creatorcontrib><creatorcontrib>Hlukhyy, Viktor</creatorcontrib><creatorcontrib>Fässler, Thomas F.</creatorcontrib><collection>Istex</collection><collection>CrossRef</collection><jtitle>Zeitschrift für anorganische und allgemeine Chemie (1950)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Hoffmann, Andrea V.</au><au>Hlukhyy, Viktor</au><au>Fässler, Thomas F.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Synthesis, Structure, and Chemical Bonding in CaCoSi</atitle><jtitle>Zeitschrift für anorganische und allgemeine Chemie (1950)</jtitle><addtitle>Z. anorg. allg. Chem</addtitle><date>2014-11</date><risdate>2014</risdate><volume>640</volume><issue>14</issue><spage>2882</spage><epage>2888</epage><pages>2882-2888</pages><issn>0044-2313</issn><eissn>1521-3749</eissn><abstract>The intermetallic compound CaCoSi was synthesized by solid state synthesis and investigated by means of X‐ray diffraction (both powder and single crystal method): PbClF type structure, P4/nmm (No.129): a = 3.977(1) Å, c = 7.089(5) Å, R1 = 0.0303, 121 F2, 9 variable parameters. CaCoSi contains isolated [CoSi]2– 2D layers in the ab plane, which are separated by Ca2+ cations along the c direction. The crystal chemistry and chemical bonding of CaCoSi are discussed in terms of LMTO band structure calculation and analyzed using the Electron Localization Function (ELF).</abstract><cop>Weinheim</cop><pub>WILEY-VCH Verlag</pub><doi>10.1002/zaac.201400356</doi><tpages>7</tpages></addata></record> |
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| language | eng |
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| source | Wiley Journals |
| subjects | Chemical bonding ELF (Electron Localization Function) Germanide Intermetallic compound |
| title | Synthesis, Structure, and Chemical Bonding in CaCoSi |
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