On the crystal structure and optical spectroscopy of rare earth comprising quaternary tungstates Li3Ba2RE3(WO4)8 (RE = La–Nd, Sm–Ho)
The quaternary tungstates Li3Ba2RE3(WO4)8 (RE = La–Nd, Sm–Ho) were obtained by a ceramic synthesis route and were characterized by powder and single crystal X-ray diffraction. The structures of Li3Ba2Pr3(WO4)8 and Li3Ba2Tb3(WO4)8 were refined from single crystal diffractometer data: RbLiBi2(MoO4)4 t...
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| Veröffentlicht in: | Dalton transactions : an international journal of inorganic chemistry 2021-07, Vol.50 (26), p.9225-9235 |
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| creator | Jan-Niklas Keil Paulsen, Christian Rosner, Florian Pöttgen, Rainer Jüstel, Thomas |
| description | The quaternary tungstates Li3Ba2RE3(WO4)8 (RE = La–Nd, Sm–Ho) were obtained by a ceramic synthesis route and were characterized by powder and single crystal X-ray diffraction. The structures of Li3Ba2Pr3(WO4)8 and Li3Ba2Tb3(WO4)8 were refined from single crystal diffractometer data: RbLiBi2(MoO4)4 type, space group C2/c, a = 528.57(2), b = 1292.39(6), c = 1934.80(10) pm, β = 91.522(4)°, 2151 F2 values, 108 parameters for Li3Ba2Pr3(WO4)8 and a = 520.54(2), b = 1272.03(6), c = 1918.85(10) pm, β = 91.948(4)°, 2020 F2 values, 108 variables for Li3Ba2Tb3(WO4)8. Striking polyhedral building units in these tungstates are WO4 tetrahedra and LiO6 octahedra, while the mixed occupied site and the barium atoms have higher coordination numbers, i.e. RE/Li@O8 and Ba@O10. In addition to the powder quality assessment by means of reflection spectroscopy, the synthesized samples were studied for their suitability as a scintillator material. Therefore, X-ray excited luminescence measurements where performed. Apart from Li3Ba2Ce3(WO4)8 and Li3Ba2Nd3(WO4)8, all compounds show strong emission under X-ray irradiation. Li3Ba2La3(WO4)8 and Li3Ba2Gd3(WO4)8 show blue CT luminescence caused by tungstate units, while the other samples show typical and multiple lines due to well known [Xe]4fn → [Xe]4fn transitions. |
| doi_str_mv | 10.1039/d1dt00795e |
| format | Article |
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The structures of Li3Ba2Pr3(WO4)8 and Li3Ba2Tb3(WO4)8 were refined from single crystal diffractometer data: RbLiBi2(MoO4)4 type, space group C2/c, a = 528.57(2), b = 1292.39(6), c = 1934.80(10) pm, β = 91.522(4)°, 2151 F2 values, 108 parameters for Li3Ba2Pr3(WO4)8 and a = 520.54(2), b = 1272.03(6), c = 1918.85(10) pm, β = 91.948(4)°, 2020 F2 values, 108 variables for Li3Ba2Tb3(WO4)8. Striking polyhedral building units in these tungstates are WO4 tetrahedra and LiO6 octahedra, while the mixed occupied site and the barium atoms have higher coordination numbers, i.e. RE/Li@O8 and Ba@O10. In addition to the powder quality assessment by means of reflection spectroscopy, the synthesized samples were studied for their suitability as a scintillator material. Therefore, X-ray excited luminescence measurements where performed. Apart from Li3Ba2Ce3(WO4)8 and Li3Ba2Nd3(WO4)8, all compounds show strong emission under X-ray irradiation. Li3Ba2La3(WO4)8 and Li3Ba2Gd3(WO4)8 show blue CT luminescence caused by tungstate units, while the other samples show typical and multiple lines due to well known [Xe]4fn → [Xe]4fn transitions.</description><identifier>ISSN: 1477-9226</identifier><identifier>EISSN: 1477-9234</identifier><identifier>DOI: 10.1039/d1dt00795e</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Barium ; Ceramic powders ; Coordination numbers ; Crystal structure ; Crystallography ; Lanthanum ; Luminescence ; Quality assessment ; Scintillation counters ; Single crystals ; Spectrum analysis ; Tetrahedra ; Tungstates ; X ray irradiation</subject><ispartof>Dalton transactions : an international journal of inorganic chemistry, 2021-07, Vol.50 (26), p.9225-9235</ispartof><rights>Copyright Royal Society of Chemistry 2021</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids></links><search><creatorcontrib>Jan-Niklas Keil</creatorcontrib><creatorcontrib>Paulsen, Christian</creatorcontrib><creatorcontrib>Rosner, Florian</creatorcontrib><creatorcontrib>Pöttgen, Rainer</creatorcontrib><creatorcontrib>Jüstel, Thomas</creatorcontrib><title>On the crystal structure and optical spectroscopy of rare earth comprising quaternary tungstates Li3Ba2RE3(WO4)8 (RE = La–Nd, Sm–Ho)</title><title>Dalton transactions : an international journal of inorganic chemistry</title><description>The quaternary tungstates Li3Ba2RE3(WO4)8 (RE = La–Nd, Sm–Ho) were obtained by a ceramic synthesis route and were characterized by powder and single crystal X-ray diffraction. The structures of Li3Ba2Pr3(WO4)8 and Li3Ba2Tb3(WO4)8 were refined from single crystal diffractometer data: RbLiBi2(MoO4)4 type, space group C2/c, a = 528.57(2), b = 1292.39(6), c = 1934.80(10) pm, β = 91.522(4)°, 2151 F2 values, 108 parameters for Li3Ba2Pr3(WO4)8 and a = 520.54(2), b = 1272.03(6), c = 1918.85(10) pm, β = 91.948(4)°, 2020 F2 values, 108 variables for Li3Ba2Tb3(WO4)8. Striking polyhedral building units in these tungstates are WO4 tetrahedra and LiO6 octahedra, while the mixed occupied site and the barium atoms have higher coordination numbers, i.e. RE/Li@O8 and Ba@O10. In addition to the powder quality assessment by means of reflection spectroscopy, the synthesized samples were studied for their suitability as a scintillator material. Therefore, X-ray excited luminescence measurements where performed. Apart from Li3Ba2Ce3(WO4)8 and Li3Ba2Nd3(WO4)8, all compounds show strong emission under X-ray irradiation. Li3Ba2La3(WO4)8 and Li3Ba2Gd3(WO4)8 show blue CT luminescence caused by tungstate units, while the other samples show typical and multiple lines due to well known [Xe]4fn → [Xe]4fn transitions.</description><subject>Barium</subject><subject>Ceramic powders</subject><subject>Coordination numbers</subject><subject>Crystal structure</subject><subject>Crystallography</subject><subject>Lanthanum</subject><subject>Luminescence</subject><subject>Quality assessment</subject><subject>Scintillation counters</subject><subject>Single crystals</subject><subject>Spectrum analysis</subject><subject>Tetrahedra</subject><subject>Tungstates</subject><subject>X ray irradiation</subject><issn>1477-9226</issn><issn>1477-9234</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNpdkLtOwzAYhS0EEqWw8ASWWFqJgK9xPDBAFShSRKUCYqwcx2lTpXFqO0M3RnbekCchXMTA9B_9-nR0zgHgFKMLjKi8LHAREBKSmz0wwEyISBLK9v80iQ_BkfdrhAhBnAzA26yBYWWgdjsfVA19cJ0OnTNQNQW0baj017c1OjjrtW130JbQqR4wyoUV1HbTuspXzRJuOxWMa5TbwdA1y94vGA-zit4oMk_p6GXGxgkczVN4BTP18fr-UJzDx00vpnZ8DA5KVXtz8nuH4Pk2fZpMo2x2dz-5zqIWUxwiKjWOpU44RaWK8zzhAgkqZV4SlRQ5x4rSkkkWC5yQHPNYm4RSYnKlZVEYSodg9OPbOrvtjA-LTeW1qWvVGNv5BeEMCSJ4v9sQnP1D17br-9XfVB-BMBbTT7y6ckc</recordid><startdate>20210714</startdate><enddate>20210714</enddate><creator>Jan-Niklas Keil</creator><creator>Paulsen, Christian</creator><creator>Rosner, Florian</creator><creator>Pöttgen, Rainer</creator><creator>Jüstel, Thomas</creator><general>Royal Society of Chemistry</general><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope></search><sort><creationdate>20210714</creationdate><title>On the crystal structure and optical spectroscopy of rare earth comprising quaternary tungstates Li3Ba2RE3(WO4)8 (RE = La–Nd, Sm–Ho)</title><author>Jan-Niklas Keil ; Paulsen, Christian ; Rosner, Florian ; Pöttgen, Rainer ; Jüstel, Thomas</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p131t-39c169c8530fa6bb85707399bf2a8db51a33f49467182b156ce8332ebac9dde33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Barium</topic><topic>Ceramic powders</topic><topic>Coordination numbers</topic><topic>Crystal structure</topic><topic>Crystallography</topic><topic>Lanthanum</topic><topic>Luminescence</topic><topic>Quality assessment</topic><topic>Scintillation counters</topic><topic>Single crystals</topic><topic>Spectrum analysis</topic><topic>Tetrahedra</topic><topic>Tungstates</topic><topic>X ray irradiation</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Jan-Niklas Keil</creatorcontrib><creatorcontrib>Paulsen, Christian</creatorcontrib><creatorcontrib>Rosner, Florian</creatorcontrib><creatorcontrib>Pöttgen, Rainer</creatorcontrib><creatorcontrib>Jüstel, Thomas</creatorcontrib><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Jan-Niklas Keil</au><au>Paulsen, Christian</au><au>Rosner, Florian</au><au>Pöttgen, Rainer</au><au>Jüstel, Thomas</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>On the crystal structure and optical spectroscopy of rare earth comprising quaternary tungstates Li3Ba2RE3(WO4)8 (RE = La–Nd, Sm–Ho)</atitle><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle><date>2021-07-14</date><risdate>2021</risdate><volume>50</volume><issue>26</issue><spage>9225</spage><epage>9235</epage><pages>9225-9235</pages><issn>1477-9226</issn><eissn>1477-9234</eissn><abstract>The quaternary tungstates Li3Ba2RE3(WO4)8 (RE = La–Nd, Sm–Ho) were obtained by a ceramic synthesis route and were characterized by powder and single crystal X-ray diffraction. The structures of Li3Ba2Pr3(WO4)8 and Li3Ba2Tb3(WO4)8 were refined from single crystal diffractometer data: RbLiBi2(MoO4)4 type, space group C2/c, a = 528.57(2), b = 1292.39(6), c = 1934.80(10) pm, β = 91.522(4)°, 2151 F2 values, 108 parameters for Li3Ba2Pr3(WO4)8 and a = 520.54(2), b = 1272.03(6), c = 1918.85(10) pm, β = 91.948(4)°, 2020 F2 values, 108 variables for Li3Ba2Tb3(WO4)8. Striking polyhedral building units in these tungstates are WO4 tetrahedra and LiO6 octahedra, while the mixed occupied site and the barium atoms have higher coordination numbers, i.e. RE/Li@O8 and Ba@O10. In addition to the powder quality assessment by means of reflection spectroscopy, the synthesized samples were studied for their suitability as a scintillator material. Therefore, X-ray excited luminescence measurements where performed. Apart from Li3Ba2Ce3(WO4)8 and Li3Ba2Nd3(WO4)8, all compounds show strong emission under X-ray irradiation. Li3Ba2La3(WO4)8 and Li3Ba2Gd3(WO4)8 show blue CT luminescence caused by tungstate units, while the other samples show typical and multiple lines due to well known [Xe]4fn → [Xe]4fn transitions.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><doi>10.1039/d1dt00795e</doi><tpages>11</tpages></addata></record> |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Barium Ceramic powders Coordination numbers Crystal structure Crystallography Lanthanum Luminescence Quality assessment Scintillation counters Single crystals Spectrum analysis Tetrahedra Tungstates X ray irradiation |
| title | On the crystal structure and optical spectroscopy of rare earth comprising quaternary tungstates Li3Ba2RE3(WO4)8 (RE = La–Nd, Sm–Ho) |
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