M2B5 or M2B4? A Reinvestigation of the Mo/B and W/B System
The literature states different compositions (M/B = 1:2 vs. 2:5) and structures for diborides of molybdenum and tungsten. Using X‐ray and neutron powder diffraction as well as energy and wavelength dispersive electron microprobe analysis, the Mo/B and W/B systems were now reinvestigated. Molybdenum...
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| Veröffentlicht in: | Zeitschrift für anorganische und allgemeine Chemie (1950) 2007-11, Vol.633 (15), p.2626-2630 |
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| container_title | Zeitschrift für anorganische und allgemeine Chemie (1950) |
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| creator | Frotscher, Michael Klein, Wilhelm Bauer, Joseph Fang, Chang-Ming Halet, Jean-Franois Senyshyn, Anatoliy Baehtz, Carsten Albert, Barbara |
| description | The literature states different compositions (M/B = 1:2 vs. 2:5) and structures for diborides of molybdenum and tungsten. Using X‐ray and neutron powder diffraction as well as energy and wavelength dispersive electron microprobe analysis, the Mo/B and W/B systems were now reinvestigated. Molybdenum diboride crystallizes as a stoichiometric compound Mo2B4 (formerly described as Mo2B5) in space group $R{\bar 3}m$ (No. 166, a, b = 3.01375(2) Å, c = 20.9541(3) Å), and as a non‐stoichiometric compound MoB2−x (formerly described as MoB2) in P6/mmm (No. 191, a, b = 3.043(2) Å, c = 3.067(2) Å), whereas stoichiometric tungsten diboride W2B4 (formerly described as W2B5) is found to crystallize in space group P63/mmc (No. 194, a, b = 2.9864(4) Å, c = 13.896(2) Å). These results seem to be supported by DFT calculations which show the instability of a hypothetic W2B5. |
| doi_str_mv | 10.1002/zaac.200700376 |
| format | Article |
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A Reinvestigation of the Mo/B and W/B System</title><source>Wiley Online Library Journals Frontfile Complete</source><creator>Frotscher, Michael ; Klein, Wilhelm ; Bauer, Joseph ; Fang, Chang-Ming ; Halet, Jean-Franois ; Senyshyn, Anatoliy ; Baehtz, Carsten ; Albert, Barbara</creator><creatorcontrib>Frotscher, Michael ; Klein, Wilhelm ; Bauer, Joseph ; Fang, Chang-Ming ; Halet, Jean-Franois ; Senyshyn, Anatoliy ; Baehtz, Carsten ; Albert, Barbara</creatorcontrib><description>The literature states different compositions (M/B = 1:2 vs. 2:5) and structures for diborides of molybdenum and tungsten. Using X‐ray and neutron powder diffraction as well as energy and wavelength dispersive electron microprobe analysis, the Mo/B and W/B systems were now reinvestigated. Molybdenum diboride crystallizes as a stoichiometric compound Mo2B4 (formerly described as Mo2B5) in space group $R{\bar 3}m$ (No. 166, a, b = 3.01375(2) Å, c = 20.9541(3) Å), and as a non‐stoichiometric compound MoB2−x (formerly described as MoB2) in P6/mmm (No. 191, a, b = 3.043(2) Å, c = 3.067(2) Å), whereas stoichiometric tungsten diboride W2B4 (formerly described as W2B5) is found to crystallize in space group P63/mmc (No. 194, a, b = 2.9864(4) Å, c = 13.896(2) Å). These results seem to be supported by DFT calculations which show the instability of a hypothetic W2B5.</description><identifier>ISSN: 0044-2313</identifier><identifier>EISSN: 1521-3749</identifier><identifier>DOI: 10.1002/zaac.200700376</identifier><language>eng</language><publisher>Weinheim: WILEY-VCH Verlag</publisher><subject>Borides ; Chemical Sciences ; DFT calculations ; Microprobe ; Molybdenum ; Neutron diffraction ; or physical chemistry ; Theoretical and ; Tungsten ; X-ray diffraction</subject><ispartof>Zeitschrift für anorganische und allgemeine Chemie (1950), 2007-11, Vol.633 (15), p.2626-2630</ispartof><rights>Copyright © 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0002-2315-4200</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fzaac.200700376$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fzaac.200700376$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>230,314,778,782,883,1414,27911,27912,45561,45562</link.rule.ids><backlink>$$Uhttps://hal.science/hal-00354890$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Frotscher, Michael</creatorcontrib><creatorcontrib>Klein, Wilhelm</creatorcontrib><creatorcontrib>Bauer, Joseph</creatorcontrib><creatorcontrib>Fang, Chang-Ming</creatorcontrib><creatorcontrib>Halet, Jean-Franois</creatorcontrib><creatorcontrib>Senyshyn, Anatoliy</creatorcontrib><creatorcontrib>Baehtz, Carsten</creatorcontrib><creatorcontrib>Albert, Barbara</creatorcontrib><title>M2B5 or M2B4? A Reinvestigation of the Mo/B and W/B System</title><title>Zeitschrift für anorganische und allgemeine Chemie (1950)</title><addtitle>Z. anorg. allg. Chem</addtitle><description>The literature states different compositions (M/B = 1:2 vs. 2:5) and structures for diborides of molybdenum and tungsten. Using X‐ray and neutron powder diffraction as well as energy and wavelength dispersive electron microprobe analysis, the Mo/B and W/B systems were now reinvestigated. Molybdenum diboride crystallizes as a stoichiometric compound Mo2B4 (formerly described as Mo2B5) in space group $R{\bar 3}m$ (No. 166, a, b = 3.01375(2) Å, c = 20.9541(3) Å), and as a non‐stoichiometric compound MoB2−x (formerly described as MoB2) in P6/mmm (No. 191, a, b = 3.043(2) Å, c = 3.067(2) Å), whereas stoichiometric tungsten diboride W2B4 (formerly described as W2B5) is found to crystallize in space group P63/mmc (No. 194, a, b = 2.9864(4) Å, c = 13.896(2) Å). These results seem to be supported by DFT calculations which show the instability of a hypothetic W2B5.</description><subject>Borides</subject><subject>Chemical Sciences</subject><subject>DFT calculations</subject><subject>Microprobe</subject><subject>Molybdenum</subject><subject>Neutron diffraction</subject><subject>or physical chemistry</subject><subject>Theoretical and</subject><subject>Tungsten</subject><subject>X-ray diffraction</subject><issn>0044-2313</issn><issn>1521-3749</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2007</creationdate><recordtype>article</recordtype><recordid>eNo9UE1Lw0AUXETBWr163quHtG-_srteJG21FRIFPyh4WbbJro22jSShWn-9Wyo5DfNm5sEMQpcEBgSADn-tzQcUQAIwGR-hHhGURExyfYx6AJxHlBF2is6a5gMACAjRQ9cZHQlc1Tggv8EJfnLlZuuatny3bVltcOVxu3Q4q4YjbDcFngd83jWtW5-jE29Xjbv4xz56vbt9Gc-i9HF6P07SaEkliyOpndXUERXnSjDrRQ5eUb8oyKJwlFhCmNeWM6sWRVByrnnugSvHVB4Uxfro6vB3aVfmqy7Xtt6ZypZmlqRmfwt9BVcatiR49cH7Xa7crnMTMPuJzH4i001k3pJk3LGQjQ7ZMrT76bK2_jSxZFKY-cPUAJuk2STODGN_mwJnzw</recordid><startdate>200711</startdate><enddate>200711</enddate><creator>Frotscher, Michael</creator><creator>Klein, Wilhelm</creator><creator>Bauer, Joseph</creator><creator>Fang, Chang-Ming</creator><creator>Halet, Jean-Franois</creator><creator>Senyshyn, Anatoliy</creator><creator>Baehtz, Carsten</creator><creator>Albert, Barbara</creator><general>WILEY-VCH Verlag</general><general>WILEY‐VCH Verlag</general><general>Wiley-VCH Verlag</general><scope>BSCLL</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0002-2315-4200</orcidid></search><sort><creationdate>200711</creationdate><title>M2B5 or M2B4? A Reinvestigation of the Mo/B and W/B System</title><author>Frotscher, Michael ; Klein, Wilhelm ; Bauer, Joseph ; Fang, Chang-Ming ; Halet, Jean-Franois ; Senyshyn, Anatoliy ; Baehtz, Carsten ; Albert, Barbara</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-h2736-79ea92e186c853af5c0f82fbd1bde21a113f9a43a8bd0f8c494cf048e38c3f983</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2007</creationdate><topic>Borides</topic><topic>Chemical Sciences</topic><topic>DFT calculations</topic><topic>Microprobe</topic><topic>Molybdenum</topic><topic>Neutron diffraction</topic><topic>or physical chemistry</topic><topic>Theoretical and</topic><topic>Tungsten</topic><topic>X-ray diffraction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Frotscher, Michael</creatorcontrib><creatorcontrib>Klein, Wilhelm</creatorcontrib><creatorcontrib>Bauer, Joseph</creatorcontrib><creatorcontrib>Fang, Chang-Ming</creatorcontrib><creatorcontrib>Halet, Jean-Franois</creatorcontrib><creatorcontrib>Senyshyn, Anatoliy</creatorcontrib><creatorcontrib>Baehtz, Carsten</creatorcontrib><creatorcontrib>Albert, Barbara</creatorcontrib><collection>Istex</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Zeitschrift für anorganische und allgemeine Chemie (1950)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Frotscher, Michael</au><au>Klein, Wilhelm</au><au>Bauer, Joseph</au><au>Fang, Chang-Ming</au><au>Halet, Jean-Franois</au><au>Senyshyn, Anatoliy</au><au>Baehtz, Carsten</au><au>Albert, Barbara</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>M2B5 or M2B4? A Reinvestigation of the Mo/B and W/B System</atitle><jtitle>Zeitschrift für anorganische und allgemeine Chemie (1950)</jtitle><addtitle>Z. anorg. allg. Chem</addtitle><date>2007-11</date><risdate>2007</risdate><volume>633</volume><issue>15</issue><spage>2626</spage><epage>2630</epage><pages>2626-2630</pages><issn>0044-2313</issn><eissn>1521-3749</eissn><abstract>The literature states different compositions (M/B = 1:2 vs. 2:5) and structures for diborides of molybdenum and tungsten. Using X‐ray and neutron powder diffraction as well as energy and wavelength dispersive electron microprobe analysis, the Mo/B and W/B systems were now reinvestigated. Molybdenum diboride crystallizes as a stoichiometric compound Mo2B4 (formerly described as Mo2B5) in space group $R{\bar 3}m$ (No. 166, a, b = 3.01375(2) Å, c = 20.9541(3) Å), and as a non‐stoichiometric compound MoB2−x (formerly described as MoB2) in P6/mmm (No. 191, a, b = 3.043(2) Å, c = 3.067(2) Å), whereas stoichiometric tungsten diboride W2B4 (formerly described as W2B5) is found to crystallize in space group P63/mmc (No. 194, a, b = 2.9864(4) Å, c = 13.896(2) Å). These results seem to be supported by DFT calculations which show the instability of a hypothetic W2B5.</abstract><cop>Weinheim</cop><pub>WILEY-VCH Verlag</pub><doi>10.1002/zaac.200700376</doi><tpages>5</tpages><orcidid>https://orcid.org/0000-0002-2315-4200</orcidid></addata></record> |
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| ispartof | Zeitschrift für anorganische und allgemeine Chemie (1950), 2007-11, Vol.633 (15), p.2626-2630 |
| issn | 0044-2313 1521-3749 |
| language | eng |
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| source | Wiley Online Library Journals Frontfile Complete |
| subjects | Borides Chemical Sciences DFT calculations Microprobe Molybdenum Neutron diffraction or physical chemistry Theoretical and Tungsten X-ray diffraction |
| title | M2B5 or M2B4? A Reinvestigation of the Mo/B and W/B System |
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