MOLYBDATES AND TUNGSTATES OF THE ALLUAUDITE FAMILY: CRYSTAL CHEMISTRY, COMPOSITION, AND IONIC MOBILITY
The work reviews the structure, non-stoichiometry, and ionic mobility of molybdates, tungstates, and other compounds crystallizing in the structure type of alluaudite (Na, Ca)(Fe, Mn, Mg) 3 (PO 4 ) 3 with the general Moore′s crystal chemical formula X (2) X (1) M (1) M (2) 2 ( T O 4 ) 3 , where X ar...
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| Veröffentlicht in: | Journal of structural chemistry 2022-07, Vol.63 (7), p.1101-1133 |
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| creator | Solodovnikov, S. F. Gulyaeva, O. A. Savina, A. A. Yudin, V. N. Buzlukov, A. L. Solodovnikova, Z. A. Zolotova, E. S. Spiridonova, T. S. Khaikina, E. G. Stefanovich, S. Yu Medvedeva, N. I. Baklanova, Ya. V. Denisova, T. A. |
| description | The work reviews the structure, non-stoichiometry, and ionic mobility of molybdates, tungstates, and other compounds crystallizing in the structure type of alluaudite (Na, Ca)(Fe, Mn, Mg)
3
(PO
4
)
3
with the general Moore′s crystal chemical formula
X
(2)
X
(1)
M
(1)
M
(2)
2
(
T
O
4
)
3
, where
X
are large cations Na
+
, Ca
2+
, K
+
, Pb
2+
, etc., with the coordination number 8;
M
are octahedral cations,
T
= P, As, V, S, Mo, W. Using this formula and the corresponding site occupancies, possible limits of double molybdate and tungstate compositions of the alluaudite family are determined. Various types of distortions (superstructures) of alluaudite are considered; several groups of phases with different symmetries, numbers of anions in the unit cell, and vector relations with the unit cell of the original alluaudite structure are distinguished. It is shown that chains of partially defective positions
X
(2) and
X
(1) aligned along axis
c
play a key role in the transport of sodium cations in the alluaudite type phases. Phosphates and sulfates with alluaudite structure exhibit mainly 1D transport of sodium ions; however, calculations of the bond-valence sum maps, NMR data, and ab initio calculations show that 2D transport in the (100) plane is possible in complex molybdates and tungstates due to the transport of Na
+
ions between
X
(2)–
X
(2) and
X
(1)–
X
(1) channels through the bridging site
M
(1). It is shown that the family of alluaudite-related (pseudo)orthorhombic triple molybdates Na
10
Cs
4
M
5
(MoO
4
)
12
(
M
= Mn, Co) and Na
25
Cs
8
R
5
(MoO
4
)
24
(
R
= Fe, Sc, In) also exhibits 2D diffusion of sodium ions via successive zigzag ion hoppings and that 3D transport may appear at elevated temperatures. |
| doi_str_mv | 10.1134/S0022476622070071 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_2696116920</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2696116920</sourcerecordid><originalsourceid>FETCH-LOGICAL-c316t-ad7f3d74017defda01af2f6f03e8f8c331a8ab9a9e9d947c2476623d22a21da23</originalsourceid><addsrcrecordid>eNp1kD9PwzAQxS0EEqXwAdgssTbgP8GO2dIkbS05DWqcIVNkkhhRQVviduDbkzZIDIjp7vR-753uALjF6B5j6j_kCBHic8YIQRwhjs_ACD9y6gWci3MwOsreUb8EV86tEUIiEGwEbJqpchqHOslhuIyhLpbzXJ_GbAb1IoGhUkVYxFIncBamUpVPMFqVPaNgtEhSmetVOYFRlj5nudQyW05OQX0jI5hmU6mkLq_BhTXvrr35qWNQzBIdLTyVzWUUKq-mmO0903BLG-4jzJvWNgZhY4llFtE2sEFNKTaBeRFGtKIRPq-Hi2lDiCG4MYSOwd2Qu-u2n4fW7av19tBt-pUVYYJhzARBPYUHqu62znWtrXbd24fpviqMquM7qz_v7D1k8Lie3by23W_y_6ZvL0ptjQ</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2696116920</pqid></control><display><type>article</type><title>MOLYBDATES AND TUNGSTATES OF THE ALLUAUDITE FAMILY: CRYSTAL CHEMISTRY, COMPOSITION, AND IONIC MOBILITY</title><source>SpringerLink Journals</source><creator>Solodovnikov, S. F. ; Gulyaeva, O. A. ; Savina, A. A. ; Yudin, V. N. ; Buzlukov, A. L. ; Solodovnikova, Z. A. ; Zolotova, E. S. ; Spiridonova, T. S. ; Khaikina, E. G. ; Stefanovich, S. Yu ; Medvedeva, N. I. ; Baklanova, Ya. V. ; Denisova, T. A.</creator><creatorcontrib>Solodovnikov, S. F. ; Gulyaeva, O. A. ; Savina, A. A. ; Yudin, V. N. ; Buzlukov, A. L. ; Solodovnikova, Z. A. ; Zolotova, E. S. ; Spiridonova, T. S. ; Khaikina, E. G. ; Stefanovich, S. Yu ; Medvedeva, N. I. ; Baklanova, Ya. V. ; Denisova, T. A.</creatorcontrib><description>The work reviews the structure, non-stoichiometry, and ionic mobility of molybdates, tungstates, and other compounds crystallizing in the structure type of alluaudite (Na, Ca)(Fe, Mn, Mg)
3
(PO
4
)
3
with the general Moore′s crystal chemical formula
X
(2)
X
(1)
M
(1)
M
(2)
2
(
T
O
4
)
3
, where
X
are large cations Na
+
, Ca
2+
, K
+
, Pb
2+
, etc., with the coordination number 8;
M
are octahedral cations,
T
= P, As, V, S, Mo, W. Using this formula and the corresponding site occupancies, possible limits of double molybdate and tungstate compositions of the alluaudite family are determined. Various types of distortions (superstructures) of alluaudite are considered; several groups of phases with different symmetries, numbers of anions in the unit cell, and vector relations with the unit cell of the original alluaudite structure are distinguished. It is shown that chains of partially defective positions
X
(2) and
X
(1) aligned along axis
c
play a key role in the transport of sodium cations in the alluaudite type phases. Phosphates and sulfates with alluaudite structure exhibit mainly 1D transport of sodium ions; however, calculations of the bond-valence sum maps, NMR data, and ab initio calculations show that 2D transport in the (100) plane is possible in complex molybdates and tungstates due to the transport of Na
+
ions between
X
(2)–
X
(2) and
X
(1)–
X
(1) channels through the bridging site
M
(1). It is shown that the family of alluaudite-related (pseudo)orthorhombic triple molybdates Na
10
Cs
4
M
5
(MoO
4
)
12
(
M
= Mn, Co) and Na
25
Cs
8
R
5
(MoO
4
)
24
(
R
= Fe, Sc, In) also exhibits 2D diffusion of sodium ions via successive zigzag ion hoppings and that 3D transport may appear at elevated temperatures.</description><identifier>ISSN: 0022-4766</identifier><identifier>EISSN: 1573-8779</identifier><identifier>DOI: 10.1134/S0022476622070071</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Atomic ; Atomic/Molecular Structure and Spectra ; Calcium ions ; Cations ; Chemistry ; Chemistry and Materials Science ; Composition ; Coordination numbers ; Crystal structure ; High temperature ; Inorganic Chemistry ; Ionic mobility ; Manganese ; Mathematical analysis ; Molecular ; Molybdates ; NMR ; Nuclear magnetic resonance ; Optical and Plasma Physics ; Phosphates ; Physical Chemistry ; Sodium ; Sodium diffusion ; Solid State Physics ; Stoichiometry ; Superstructures ; Tungstates ; Unit cell</subject><ispartof>Journal of structural chemistry, 2022-07, Vol.63 (7), p.1101-1133</ispartof><rights>Pleiades Publishing, Ltd. 2022</rights><rights>Pleiades Publishing, Ltd. 2022.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c316t-ad7f3d74017defda01af2f6f03e8f8c331a8ab9a9e9d947c2476623d22a21da23</citedby><cites>FETCH-LOGICAL-c316t-ad7f3d74017defda01af2f6f03e8f8c331a8ab9a9e9d947c2476623d22a21da23</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S0022476622070071$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S0022476622070071$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids></links><search><creatorcontrib>Solodovnikov, S. F.</creatorcontrib><creatorcontrib>Gulyaeva, O. A.</creatorcontrib><creatorcontrib>Savina, A. A.</creatorcontrib><creatorcontrib>Yudin, V. N.</creatorcontrib><creatorcontrib>Buzlukov, A. L.</creatorcontrib><creatorcontrib>Solodovnikova, Z. A.</creatorcontrib><creatorcontrib>Zolotova, E. S.</creatorcontrib><creatorcontrib>Spiridonova, T. S.</creatorcontrib><creatorcontrib>Khaikina, E. G.</creatorcontrib><creatorcontrib>Stefanovich, S. Yu</creatorcontrib><creatorcontrib>Medvedeva, N. I.</creatorcontrib><creatorcontrib>Baklanova, Ya. V.</creatorcontrib><creatorcontrib>Denisova, T. A.</creatorcontrib><title>MOLYBDATES AND TUNGSTATES OF THE ALLUAUDITE FAMILY: CRYSTAL CHEMISTRY, COMPOSITION, AND IONIC MOBILITY</title><title>Journal of structural chemistry</title><addtitle>J Struct Chem</addtitle><description>The work reviews the structure, non-stoichiometry, and ionic mobility of molybdates, tungstates, and other compounds crystallizing in the structure type of alluaudite (Na, Ca)(Fe, Mn, Mg)
3
(PO
4
)
3
with the general Moore′s crystal chemical formula
X
(2)
X
(1)
M
(1)
M
(2)
2
(
T
O
4
)
3
, where
X
are large cations Na
+
, Ca
2+
, K
+
, Pb
2+
, etc., with the coordination number 8;
M
are octahedral cations,
T
= P, As, V, S, Mo, W. Using this formula and the corresponding site occupancies, possible limits of double molybdate and tungstate compositions of the alluaudite family are determined. Various types of distortions (superstructures) of alluaudite are considered; several groups of phases with different symmetries, numbers of anions in the unit cell, and vector relations with the unit cell of the original alluaudite structure are distinguished. It is shown that chains of partially defective positions
X
(2) and
X
(1) aligned along axis
c
play a key role in the transport of sodium cations in the alluaudite type phases. Phosphates and sulfates with alluaudite structure exhibit mainly 1D transport of sodium ions; however, calculations of the bond-valence sum maps, NMR data, and ab initio calculations show that 2D transport in the (100) plane is possible in complex molybdates and tungstates due to the transport of Na
+
ions between
X
(2)–
X
(2) and
X
(1)–
X
(1) channels through the bridging site
M
(1). It is shown that the family of alluaudite-related (pseudo)orthorhombic triple molybdates Na
10
Cs
4
M
5
(MoO
4
)
12
(
M
= Mn, Co) and Na
25
Cs
8
R
5
(MoO
4
)
24
(
R
= Fe, Sc, In) also exhibits 2D diffusion of sodium ions via successive zigzag ion hoppings and that 3D transport may appear at elevated temperatures.</description><subject>Atomic</subject><subject>Atomic/Molecular Structure and Spectra</subject><subject>Calcium ions</subject><subject>Cations</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Composition</subject><subject>Coordination numbers</subject><subject>Crystal structure</subject><subject>High temperature</subject><subject>Inorganic Chemistry</subject><subject>Ionic mobility</subject><subject>Manganese</subject><subject>Mathematical analysis</subject><subject>Molecular</subject><subject>Molybdates</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Optical and Plasma Physics</subject><subject>Phosphates</subject><subject>Physical Chemistry</subject><subject>Sodium</subject><subject>Sodium diffusion</subject><subject>Solid State Physics</subject><subject>Stoichiometry</subject><subject>Superstructures</subject><subject>Tungstates</subject><subject>Unit cell</subject><issn>0022-4766</issn><issn>1573-8779</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp1kD9PwzAQxS0EEqXwAdgssTbgP8GO2dIkbS05DWqcIVNkkhhRQVviduDbkzZIDIjp7vR-753uALjF6B5j6j_kCBHic8YIQRwhjs_ACD9y6gWci3MwOsreUb8EV86tEUIiEGwEbJqpchqHOslhuIyhLpbzXJ_GbAb1IoGhUkVYxFIncBamUpVPMFqVPaNgtEhSmetVOYFRlj5nudQyW05OQX0jI5hmU6mkLq_BhTXvrr35qWNQzBIdLTyVzWUUKq-mmO0903BLG-4jzJvWNgZhY4llFtE2sEFNKTaBeRFGtKIRPq-Hi2lDiCG4MYSOwd2Qu-u2n4fW7av19tBt-pUVYYJhzARBPYUHqu62znWtrXbd24fpviqMquM7qz_v7D1k8Lie3by23W_y_6ZvL0ptjQ</recordid><startdate>20220701</startdate><enddate>20220701</enddate><creator>Solodovnikov, S. F.</creator><creator>Gulyaeva, O. A.</creator><creator>Savina, A. A.</creator><creator>Yudin, V. N.</creator><creator>Buzlukov, A. L.</creator><creator>Solodovnikova, Z. A.</creator><creator>Zolotova, E. S.</creator><creator>Spiridonova, T. S.</creator><creator>Khaikina, E. G.</creator><creator>Stefanovich, S. Yu</creator><creator>Medvedeva, N. I.</creator><creator>Baklanova, Ya. V.</creator><creator>Denisova, T. A.</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20220701</creationdate><title>MOLYBDATES AND TUNGSTATES OF THE ALLUAUDITE FAMILY: CRYSTAL CHEMISTRY, COMPOSITION, AND IONIC MOBILITY</title><author>Solodovnikov, S. F. ; Gulyaeva, O. A. ; Savina, A. A. ; Yudin, V. N. ; Buzlukov, A. L. ; Solodovnikova, Z. A. ; Zolotova, E. S. ; Spiridonova, T. S. ; Khaikina, E. G. ; Stefanovich, S. Yu ; Medvedeva, N. I. ; Baklanova, Ya. V. ; Denisova, T. A.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c316t-ad7f3d74017defda01af2f6f03e8f8c331a8ab9a9e9d947c2476623d22a21da23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Atomic</topic><topic>Atomic/Molecular Structure and Spectra</topic><topic>Calcium ions</topic><topic>Cations</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Composition</topic><topic>Coordination numbers</topic><topic>Crystal structure</topic><topic>High temperature</topic><topic>Inorganic Chemistry</topic><topic>Ionic mobility</topic><topic>Manganese</topic><topic>Mathematical analysis</topic><topic>Molecular</topic><topic>Molybdates</topic><topic>NMR</topic><topic>Nuclear magnetic resonance</topic><topic>Optical and Plasma Physics</topic><topic>Phosphates</topic><topic>Physical Chemistry</topic><topic>Sodium</topic><topic>Sodium diffusion</topic><topic>Solid State Physics</topic><topic>Stoichiometry</topic><topic>Superstructures</topic><topic>Tungstates</topic><topic>Unit cell</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Solodovnikov, S. F.</creatorcontrib><creatorcontrib>Gulyaeva, O. A.</creatorcontrib><creatorcontrib>Savina, A. A.</creatorcontrib><creatorcontrib>Yudin, V. N.</creatorcontrib><creatorcontrib>Buzlukov, A. L.</creatorcontrib><creatorcontrib>Solodovnikova, Z. A.</creatorcontrib><creatorcontrib>Zolotova, E. S.</creatorcontrib><creatorcontrib>Spiridonova, T. S.</creatorcontrib><creatorcontrib>Khaikina, E. G.</creatorcontrib><creatorcontrib>Stefanovich, S. Yu</creatorcontrib><creatorcontrib>Medvedeva, N. I.</creatorcontrib><creatorcontrib>Baklanova, Ya. V.</creatorcontrib><creatorcontrib>Denisova, T. A.</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of structural chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Solodovnikov, S. F.</au><au>Gulyaeva, O. A.</au><au>Savina, A. A.</au><au>Yudin, V. N.</au><au>Buzlukov, A. L.</au><au>Solodovnikova, Z. A.</au><au>Zolotova, E. S.</au><au>Spiridonova, T. S.</au><au>Khaikina, E. G.</au><au>Stefanovich, S. Yu</au><au>Medvedeva, N. I.</au><au>Baklanova, Ya. V.</au><au>Denisova, T. A.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>MOLYBDATES AND TUNGSTATES OF THE ALLUAUDITE FAMILY: CRYSTAL CHEMISTRY, COMPOSITION, AND IONIC MOBILITY</atitle><jtitle>Journal of structural chemistry</jtitle><stitle>J Struct Chem</stitle><date>2022-07-01</date><risdate>2022</risdate><volume>63</volume><issue>7</issue><spage>1101</spage><epage>1133</epage><pages>1101-1133</pages><issn>0022-4766</issn><eissn>1573-8779</eissn><abstract>The work reviews the structure, non-stoichiometry, and ionic mobility of molybdates, tungstates, and other compounds crystallizing in the structure type of alluaudite (Na, Ca)(Fe, Mn, Mg)
3
(PO
4
)
3
with the general Moore′s crystal chemical formula
X
(2)
X
(1)
M
(1)
M
(2)
2
(
T
O
4
)
3
, where
X
are large cations Na
+
, Ca
2+
, K
+
, Pb
2+
, etc., with the coordination number 8;
M
are octahedral cations,
T
= P, As, V, S, Mo, W. Using this formula and the corresponding site occupancies, possible limits of double molybdate and tungstate compositions of the alluaudite family are determined. Various types of distortions (superstructures) of alluaudite are considered; several groups of phases with different symmetries, numbers of anions in the unit cell, and vector relations with the unit cell of the original alluaudite structure are distinguished. It is shown that chains of partially defective positions
X
(2) and
X
(1) aligned along axis
c
play a key role in the transport of sodium cations in the alluaudite type phases. Phosphates and sulfates with alluaudite structure exhibit mainly 1D transport of sodium ions; however, calculations of the bond-valence sum maps, NMR data, and ab initio calculations show that 2D transport in the (100) plane is possible in complex molybdates and tungstates due to the transport of Na
+
ions between
X
(2)–
X
(2) and
X
(1)–
X
(1) channels through the bridging site
M
(1). It is shown that the family of alluaudite-related (pseudo)orthorhombic triple molybdates Na
10
Cs
4
M
5
(MoO
4
)
12
(
M
= Mn, Co) and Na
25
Cs
8
R
5
(MoO
4
)
24
(
R
= Fe, Sc, In) also exhibits 2D diffusion of sodium ions via successive zigzag ion hoppings and that 3D transport may appear at elevated temperatures.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S0022476622070071</doi><tpages>33</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0022-4766 |
| ispartof | Journal of structural chemistry, 2022-07, Vol.63 (7), p.1101-1133 |
| issn | 0022-4766 1573-8779 |
| language | eng |
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| source | SpringerLink Journals |
| subjects | Atomic Atomic/Molecular Structure and Spectra Calcium ions Cations Chemistry Chemistry and Materials Science Composition Coordination numbers Crystal structure High temperature Inorganic Chemistry Ionic mobility Manganese Mathematical analysis Molecular Molybdates NMR Nuclear magnetic resonance Optical and Plasma Physics Phosphates Physical Chemistry Sodium Sodium diffusion Solid State Physics Stoichiometry Superstructures Tungstates Unit cell |
| title | MOLYBDATES AND TUNGSTATES OF THE ALLUAUDITE FAMILY: CRYSTAL CHEMISTRY, COMPOSITION, AND IONIC MOBILITY |
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