Enhanced sodium ion mobility in sodium tellurosilicates and crystal structures of Na4SiTe4 and Na10Si2Te9 with isolated [SiTe4]4− tetrahedra and isolated Te2− anions
The sodium tellurosilicates Na4SiTe4, Na10Si2Te9, Na6Si2Te6 and Na8Si4Te10 were synthesized by ball milling and subsequent high temperature solid state reactions and analyzed by electrochemical impedance spectroscopy. All compounds show moderate to remarkable sodium ion conductivities. The crystal s...
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| Veröffentlicht in: | Dalton transactions : an international journal of inorganic chemistry 2024-09, Vol.53 (37), p.15630-15637 |
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| container_title | Dalton transactions : an international journal of inorganic chemistry |
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| creator | Kamm, Franziska Pielnhofer, Florian Schlosser, Marc Pfitzner, Arno |
| description | The sodium tellurosilicates Na4SiTe4, Na10Si2Te9, Na6Si2Te6 and Na8Si4Te10 were synthesized by ball milling and subsequent high temperature solid state reactions and analyzed by electrochemical impedance spectroscopy. All compounds show moderate to remarkable sodium ion conductivities. The crystal structures of the novel materials Na4SiTe4 and Na10Si2Te9 were determined by X-ray diffraction. Both compounds represent new structure types with isolated SiTe4 tetrahedra. The crystal structure of Na10Si2Te9 exhibits a single telluride anion besides two SiTe4 tetrahedra. Na4SiTe4 crystallizes in the cubic space group Pa3 (no. 205) with lattice parameters a = 13.0312(1) Å and V = 2212.84(2) Å3. Na10Si2Te9 crystallizes in the orthorhombic space group Pna21 (no. 33) with lattice parameters a = 12.8235(7) Å, b = 14.8398(8) Å, c = 12.9530(7) Å and V = 2464.9(2) Å3. The presence of two different anionic units makes this compound stand out from other alkali chalcogenotetrelates. The electronic structure of all compounds was investigated by density functional theory, revealing their semiconducting behaviour. |
| doi_str_mv | 10.1039/d4dt01717j |
| format | Article |
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All compounds show moderate to remarkable sodium ion conductivities. The crystal structures of the novel materials Na4SiTe4 and Na10Si2Te9 were determined by X-ray diffraction. Both compounds represent new structure types with isolated SiTe4 tetrahedra. The crystal structure of Na10Si2Te9 exhibits a single telluride anion besides two SiTe4 tetrahedra. Na4SiTe4 crystallizes in the cubic space group Pa3 (no. 205) with lattice parameters a = 13.0312(1) Å and V = 2212.84(2) Å3. Na10Si2Te9 crystallizes in the orthorhombic space group Pna21 (no. 33) with lattice parameters a = 12.8235(7) Å, b = 14.8398(8) Å, c = 12.9530(7) Å and V = 2464.9(2) Å3. The presence of two different anionic units makes this compound stand out from other alkali chalcogenotetrelates. The electronic structure of all compounds was investigated by density functional theory, revealing their semiconducting behaviour.</description><identifier>ISSN: 1477-9226</identifier><identifier>EISSN: 1477-9234</identifier><identifier>DOI: 10.1039/d4dt01717j</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Anions ; Ball milling ; Chemical reactions ; Chemical synthesis ; Crystal structure ; Cubic lattice ; Density functional theory ; Electrochemical impedance spectroscopy ; Electronic structure ; High temperature ; Ionic mobility ; Lattice parameters ; Sodium ; Tellurides ; Tetrahedra</subject><ispartof>Dalton transactions : an international journal of inorganic chemistry, 2024-09, Vol.53 (37), p.15630-15637</ispartof><rights>Copyright Royal Society of Chemistry 2024</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>314,780,784,27922,27923</link.rule.ids></links><search><creatorcontrib>Kamm, Franziska</creatorcontrib><creatorcontrib>Pielnhofer, Florian</creatorcontrib><creatorcontrib>Schlosser, Marc</creatorcontrib><creatorcontrib>Pfitzner, Arno</creatorcontrib><title>Enhanced sodium ion mobility in sodium tellurosilicates and crystal structures of Na4SiTe4 and Na10Si2Te9 with isolated [SiTe4]4− tetrahedra and isolated Te2− anions</title><title>Dalton transactions : an international journal of inorganic chemistry</title><description>The sodium tellurosilicates Na4SiTe4, Na10Si2Te9, Na6Si2Te6 and Na8Si4Te10 were synthesized by ball milling and subsequent high temperature solid state reactions and analyzed by electrochemical impedance spectroscopy. All compounds show moderate to remarkable sodium ion conductivities. The crystal structures of the novel materials Na4SiTe4 and Na10Si2Te9 were determined by X-ray diffraction. Both compounds represent new structure types with isolated SiTe4 tetrahedra. The crystal structure of Na10Si2Te9 exhibits a single telluride anion besides two SiTe4 tetrahedra. Na4SiTe4 crystallizes in the cubic space group Pa3 (no. 205) with lattice parameters a = 13.0312(1) Å and V = 2212.84(2) Å3. Na10Si2Te9 crystallizes in the orthorhombic space group Pna21 (no. 33) with lattice parameters a = 12.8235(7) Å, b = 14.8398(8) Å, c = 12.9530(7) Å and V = 2464.9(2) Å3. The presence of two different anionic units makes this compound stand out from other alkali chalcogenotetrelates. The electronic structure of all compounds was investigated by density functional theory, revealing their semiconducting behaviour.</description><subject>Anions</subject><subject>Ball milling</subject><subject>Chemical reactions</subject><subject>Chemical synthesis</subject><subject>Crystal structure</subject><subject>Cubic lattice</subject><subject>Density functional theory</subject><subject>Electrochemical impedance spectroscopy</subject><subject>Electronic structure</subject><subject>High temperature</subject><subject>Ionic mobility</subject><subject>Lattice parameters</subject><subject>Sodium</subject><subject>Tellurides</subject><subject>Tetrahedra</subject><issn>1477-9226</issn><issn>1477-9234</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNo9jk1OwzAQhS0EEqWw4QSWWAf8l9hZoqr8SFVZEFYIVZPYUV2lcbEdod6ANbfgWpwEU6CaxYy-ee_NIHROySUlvLzSQkdCJZWrAzSiQsqsZFwc7mdWHKOTEFaEMEZyNkKf034JfWM0Dk7bYY2t6_Ha1bazcYtt_4-j6brBu5B4A9EEDL3Gjd-GCB0O0Q9NHHzCrsVzEI-2MmInmQMlj5ZVpsRvNi6xDa5Lfo2fd5oX8fX-kcKjh6XRHnaevaYy7GcNfXoqnKKjFrpgzv76GD3dTKvJXTZ7uL2fXM-yDaU8ZjVwbmqjy4ZIKFpFhWo51DoXJbCiVqBMKtVK3pQsN2BoXuaU66KRnGuS8zG6-M3dePc6mBAXKzf4Pp1ccEqUULwoJP8GHP9ygQ</recordid><startdate>20240924</startdate><enddate>20240924</enddate><creator>Kamm, Franziska</creator><creator>Pielnhofer, Florian</creator><creator>Schlosser, Marc</creator><creator>Pfitzner, Arno</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></search><sort><creationdate>20240924</creationdate><title>Enhanced sodium ion mobility in sodium tellurosilicates and crystal structures of Na4SiTe4 and Na10Si2Te9 with isolated [SiTe4]4− tetrahedra and isolated Te2− anions</title><author>Kamm, Franziska ; Pielnhofer, Florian ; Schlosser, Marc ; Pfitzner, Arno</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p113t-ba33ebed9c07a6f8148f3abd549a26b8a8e8e88f73c925eae159513d6c733d053</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Anions</topic><topic>Ball milling</topic><topic>Chemical reactions</topic><topic>Chemical synthesis</topic><topic>Crystal structure</topic><topic>Cubic lattice</topic><topic>Density functional theory</topic><topic>Electrochemical impedance spectroscopy</topic><topic>Electronic structure</topic><topic>High temperature</topic><topic>Ionic mobility</topic><topic>Lattice parameters</topic><topic>Sodium</topic><topic>Tellurides</topic><topic>Tetrahedra</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kamm, Franziska</creatorcontrib><creatorcontrib>Pielnhofer, Florian</creatorcontrib><creatorcontrib>Schlosser, Marc</creatorcontrib><creatorcontrib>Pfitzner, Arno</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><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kamm, Franziska</au><au>Pielnhofer, Florian</au><au>Schlosser, Marc</au><au>Pfitzner, Arno</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Enhanced sodium ion mobility in sodium tellurosilicates and crystal structures of Na4SiTe4 and Na10Si2Te9 with isolated [SiTe4]4− tetrahedra and isolated Te2− anions</atitle><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle><date>2024-09-24</date><risdate>2024</risdate><volume>53</volume><issue>37</issue><spage>15630</spage><epage>15637</epage><pages>15630-15637</pages><issn>1477-9226</issn><eissn>1477-9234</eissn><abstract>The sodium tellurosilicates Na4SiTe4, Na10Si2Te9, Na6Si2Te6 and Na8Si4Te10 were synthesized by ball milling and subsequent high temperature solid state reactions and analyzed by electrochemical impedance spectroscopy. All compounds show moderate to remarkable sodium ion conductivities. The crystal structures of the novel materials Na4SiTe4 and Na10Si2Te9 were determined by X-ray diffraction. Both compounds represent new structure types with isolated SiTe4 tetrahedra. The crystal structure of Na10Si2Te9 exhibits a single telluride anion besides two SiTe4 tetrahedra. Na4SiTe4 crystallizes in the cubic space group Pa3 (no. 205) with lattice parameters a = 13.0312(1) Å and V = 2212.84(2) Å3. Na10Si2Te9 crystallizes in the orthorhombic space group Pna21 (no. 33) with lattice parameters a = 12.8235(7) Å, b = 14.8398(8) Å, c = 12.9530(7) Å and V = 2464.9(2) Å3. The presence of two different anionic units makes this compound stand out from other alkali chalcogenotetrelates. The electronic structure of all compounds was investigated by density functional theory, revealing their semiconducting behaviour.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><doi>10.1039/d4dt01717j</doi><tpages>8</tpages></addata></record> |
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| identifier | ISSN: 1477-9226 |
| ispartof | Dalton transactions : an international journal of inorganic chemistry, 2024-09, Vol.53 (37), p.15630-15637 |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Anions Ball milling Chemical reactions Chemical synthesis Crystal structure Cubic lattice Density functional theory Electrochemical impedance spectroscopy Electronic structure High temperature Ionic mobility Lattice parameters Sodium Tellurides Tetrahedra |
| title | Enhanced sodium ion mobility in sodium tellurosilicates and crystal structures of Na4SiTe4 and Na10Si2Te9 with isolated [SiTe4]4− tetrahedra and isolated Te2− anions |
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