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Structural, magnetic, and spectroscopic studies of YAgSn, TmAgSn, and LuAgSn
The rare earth–silver–stannides YAgSn, TmAgSn, and LuAgSn were synthesized from the elements by arc-melting and subsequent annealing. The three stannides were investigated by X-ray powder and single-crystal diffraction: NdPtSb type, P6 3 mc, Z = 2 , a = 468.3 ( 1 ) , c = 737.2 ( 2 ) pm, w R 2 = 0.03...
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Published in: | Journal of solid state chemistry 2006-08, Vol.179 (8), p.2376-2385 |
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description | The rare earth–silver–stannides YAgSn, TmAgSn, and LuAgSn were synthesized from the elements by arc-melting and subsequent annealing. The three stannides were investigated by X-ray powder and single-crystal diffraction: NdPtSb type,
P6
3
mc,
Z
=
2
,
a
=
468.3
(
1
)
,
c
=
737.2
(
2
)
pm,
w
R
2
=
0.0343
, 353
F
2 values, 12 variables for YAgSn, and ZrNiAl type,
P6¯2
m,
a
=
726.4
(
2
)
,
c
=
443.7
(
1
)
pm
,
w
R
2
=
0.0399
, 659
F
2 values, 15 variables for TmAgSn, and
a
=
723.8
(
2
)
,
c
=
442.47
(
9
)
pm
,
w
R
2
=
0.0674
, 364
F
2 values, 15 variables for LuAgSn. Besides conventional laboratory X-ray data with monochromatized Mo radiation, the structures were also refined on the basis of synchrotron data with
λ
=
48.725
pm
, in order to clarify the silver–tin ordering more precisely. YAgSn has puckered, two-dimensional [AgSn] networks with Ag–Sn distances of 278
pm, while the [AgSn] networks of TmAgSn and LuAgSn are three-dimensional with Ag–Sn distances of 279 and 284
pm for LuAgSn. Susceptibility measurements indicate Pauli paramagnetism for YAgSn and LuAgSn. TmAgSn is a Curie–Weiss paramagnet with an experimental magnetic moment of 7.2
μ
B/Tm. No magnetic ordering is evident down to 2
K. The local environments of the tin sites in these compounds were characterized by
119Sn Mössbauer spectroscopy and solid-state NMR (in YAgSn and LuAgSn), confirming the tin site multiplicities proposed from the structure solutions and the absence of Sn/Ag site disordering. Mössbauer quadrupolar splittings were found in good agreement with calculated electric field gradients predicted quantum chemically by the WIEN2k code. Furthermore, an excellent correlation was found between experimental
119Sn nuclear magnetic shielding anisotropies (determined via MAS-NMR) and calculated electric field gradients. Electronic structure calculations predict metallic properties with strong Ag–Sn bonds and also significant Ag–Ag bonding in LuAgSn.
Crystal Structure of YAgSn. |
doi_str_mv | 10.1016/j.jssc.2006.04.038 |
format | article |
fullrecord | <record><control><sourceid>elsevier_osti_</sourceid><recordid>TN_cdi_osti_scitechconnect_20905387</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><els_id>S0022459606002283</els_id><sourcerecordid>S0022459606002283</sourcerecordid><originalsourceid>FETCH-LOGICAL-c358t-3077ae1fd921cd7245704531081b98e90587eb27e0d7a9e1a2f7be77cb391ca73</originalsourceid><addsrcrecordid>eNp9kM1LxDAQxYMouK7-A54K4m1bJ-lHWvCyLH5BwcOuoKeQTtM1ZbctSSr439tQwZunmcPvzbz3CLmmEFGg2V0btdZixACyCJII4vyELCgUachZ9n5KFgCMhUlaZOfkwtoWgNI0Txak3DozohuNPKyCo9x3ymlcBbKrAzsodKa32A8aA-vGWisb9E3wsd5vu1WwO87Ts-Xo90ty1siDVVe_c0neHh92m-ewfH162azLEOM0d2EMnEtFm7pgFGvOkpRDksYUcloVuSogzbmqGFdQc1koKlnDK8U5VnFBUfJ4SW7mu711WljUTuEn9l03GRYMpgNx7ik2UziFsEY1YjD6KM23oCB8a6IVvjXhWxOQiKm1SXQ7iwZpUR4aIzvU9k-ZA-NF5rn7mVNTzi-tjLehOlS1Nt5F3ev_3vwAaEaBKA</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Structural, magnetic, and spectroscopic studies of YAgSn, TmAgSn, and LuAgSn</title><source>ScienceDirect Freedom Collection</source><creator>Peter Sebastian, C. ; Eckert, Hellmut ; Fehse, Constanze ; Wright, Jon P. ; Paul Attfield, J. ; Johrendt, Dirk ; Rayaprol, Sudhindra ; Hoffmann, Rolf-Dieter ; Pöttgen, Rainer</creator><creatorcontrib>Peter Sebastian, C. ; Eckert, Hellmut ; Fehse, Constanze ; Wright, Jon P. ; Paul Attfield, J. ; Johrendt, Dirk ; Rayaprol, Sudhindra ; Hoffmann, Rolf-Dieter ; Pöttgen, Rainer</creatorcontrib><description>The rare earth–silver–stannides YAgSn, TmAgSn, and LuAgSn were synthesized from the elements by arc-melting and subsequent annealing. The three stannides were investigated by X-ray powder and single-crystal diffraction: NdPtSb type,
P6
3
mc,
Z
=
2
,
a
=
468.3
(
1
)
,
c
=
737.2
(
2
)
pm,
w
R
2
=
0.0343
, 353
F
2 values, 12 variables for YAgSn, and ZrNiAl type,
P6¯2
m,
a
=
726.4
(
2
)
,
c
=
443.7
(
1
)
pm
,
w
R
2
=
0.0399
, 659
F
2 values, 15 variables for TmAgSn, and
a
=
723.8
(
2
)
,
c
=
442.47
(
9
)
pm
,
w
R
2
=
0.0674
, 364
F
2 values, 15 variables for LuAgSn. Besides conventional laboratory X-ray data with monochromatized Mo radiation, the structures were also refined on the basis of synchrotron data with
λ
=
48.725
pm
, in order to clarify the silver–tin ordering more precisely. YAgSn has puckered, two-dimensional [AgSn] networks with Ag–Sn distances of 278
pm, while the [AgSn] networks of TmAgSn and LuAgSn are three-dimensional with Ag–Sn distances of 279 and 284
pm for LuAgSn. Susceptibility measurements indicate Pauli paramagnetism for YAgSn and LuAgSn. TmAgSn is a Curie–Weiss paramagnet with an experimental magnetic moment of 7.2
μ
B/Tm. No magnetic ordering is evident down to 2
K. The local environments of the tin sites in these compounds were characterized by
119Sn Mössbauer spectroscopy and solid-state NMR (in YAgSn and LuAgSn), confirming the tin site multiplicities proposed from the structure solutions and the absence of Sn/Ag site disordering. Mössbauer quadrupolar splittings were found in good agreement with calculated electric field gradients predicted quantum chemically by the WIEN2k code. Furthermore, an excellent correlation was found between experimental
119Sn nuclear magnetic shielding anisotropies (determined via MAS-NMR) and calculated electric field gradients. Electronic structure calculations predict metallic properties with strong Ag–Sn bonds and also significant Ag–Ag bonding in LuAgSn.
Crystal Structure of YAgSn.</description><identifier>ISSN: 0022-4596</identifier><identifier>EISSN: 1095-726X</identifier><identifier>DOI: 10.1016/j.jssc.2006.04.038</identifier><identifier>CODEN: JSSCBI</identifier><language>eng</language><publisher>San Diego, CA: Elsevier Inc</publisher><subject>Alloys ; ANNEALING ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Condensed matter: structure, mechanical and thermal properties ; Exact sciences and technology ; HEXAGONAL LATTICES ; LUTETIUM COMPOUNDS ; Magnetic resonances and relaxations in condensed matter, mössbauer effect ; MAGNETIC SHIELDING ; MAGNETIZATION ; MATERIALS SCIENCE ; MELTING ; MOESSBAUER EFFECT ; MONOCRYSTALS ; Mossbauer effect; other γ-ray spectroscopy ; Mössbauer effect; other γ-ray spectroscopy ; Mössbauer spectroscopy ; NUCLEAR MAGNETIC RESONANCE ; PARAMAGNETISM ; Physics ; SILVER COMPOUNDS ; Solid-state NMR ; Stannides ; Structure of solids and liquids; crystallography ; Structure of specific crystalline solids ; THULIUM COMPOUNDS ; TIN COMPOUNDS ; X-RAY DIFFRACTION ; YTTRIUM COMPOUNDS</subject><ispartof>Journal of solid state chemistry, 2006-08, Vol.179 (8), p.2376-2385</ispartof><rights>2006 Elsevier Inc.</rights><rights>2006 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c358t-3077ae1fd921cd7245704531081b98e90587eb27e0d7a9e1a2f7be77cb391ca73</citedby><cites>FETCH-LOGICAL-c358t-3077ae1fd921cd7245704531081b98e90587eb27e0d7a9e1a2f7be77cb391ca73</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,315,786,790,891,27957,27958</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=18027968$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/20905387$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Peter Sebastian, C.</creatorcontrib><creatorcontrib>Eckert, Hellmut</creatorcontrib><creatorcontrib>Fehse, Constanze</creatorcontrib><creatorcontrib>Wright, Jon P.</creatorcontrib><creatorcontrib>Paul Attfield, J.</creatorcontrib><creatorcontrib>Johrendt, Dirk</creatorcontrib><creatorcontrib>Rayaprol, Sudhindra</creatorcontrib><creatorcontrib>Hoffmann, Rolf-Dieter</creatorcontrib><creatorcontrib>Pöttgen, Rainer</creatorcontrib><title>Structural, magnetic, and spectroscopic studies of YAgSn, TmAgSn, and LuAgSn</title><title>Journal of solid state chemistry</title><description>The rare earth–silver–stannides YAgSn, TmAgSn, and LuAgSn were synthesized from the elements by arc-melting and subsequent annealing. The three stannides were investigated by X-ray powder and single-crystal diffraction: NdPtSb type,
P6
3
mc,
Z
=
2
,
a
=
468.3
(
1
)
,
c
=
737.2
(
2
)
pm,
w
R
2
=
0.0343
, 353
F
2 values, 12 variables for YAgSn, and ZrNiAl type,
P6¯2
m,
a
=
726.4
(
2
)
,
c
=
443.7
(
1
)
pm
,
w
R
2
=
0.0399
, 659
F
2 values, 15 variables for TmAgSn, and
a
=
723.8
(
2
)
,
c
=
442.47
(
9
)
pm
,
w
R
2
=
0.0674
, 364
F
2 values, 15 variables for LuAgSn. Besides conventional laboratory X-ray data with monochromatized Mo radiation, the structures were also refined on the basis of synchrotron data with
λ
=
48.725
pm
, in order to clarify the silver–tin ordering more precisely. YAgSn has puckered, two-dimensional [AgSn] networks with Ag–Sn distances of 278
pm, while the [AgSn] networks of TmAgSn and LuAgSn are three-dimensional with Ag–Sn distances of 279 and 284
pm for LuAgSn. Susceptibility measurements indicate Pauli paramagnetism for YAgSn and LuAgSn. TmAgSn is a Curie–Weiss paramagnet with an experimental magnetic moment of 7.2
μ
B/Tm. No magnetic ordering is evident down to 2
K. The local environments of the tin sites in these compounds were characterized by
119Sn Mössbauer spectroscopy and solid-state NMR (in YAgSn and LuAgSn), confirming the tin site multiplicities proposed from the structure solutions and the absence of Sn/Ag site disordering. Mössbauer quadrupolar splittings were found in good agreement with calculated electric field gradients predicted quantum chemically by the WIEN2k code. Furthermore, an excellent correlation was found between experimental
119Sn nuclear magnetic shielding anisotropies (determined via MAS-NMR) and calculated electric field gradients. Electronic structure calculations predict metallic properties with strong Ag–Sn bonds and also significant Ag–Ag bonding in LuAgSn.
Crystal Structure of YAgSn.</description><subject>Alloys</subject><subject>ANNEALING</subject><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Exact sciences and technology</subject><subject>HEXAGONAL LATTICES</subject><subject>LUTETIUM COMPOUNDS</subject><subject>Magnetic resonances and relaxations in condensed matter, mössbauer effect</subject><subject>MAGNETIC SHIELDING</subject><subject>MAGNETIZATION</subject><subject>MATERIALS SCIENCE</subject><subject>MELTING</subject><subject>MOESSBAUER EFFECT</subject><subject>MONOCRYSTALS</subject><subject>Mossbauer effect; other γ-ray spectroscopy</subject><subject>Mössbauer effect; other γ-ray spectroscopy</subject><subject>Mössbauer spectroscopy</subject><subject>NUCLEAR MAGNETIC RESONANCE</subject><subject>PARAMAGNETISM</subject><subject>Physics</subject><subject>SILVER COMPOUNDS</subject><subject>Solid-state NMR</subject><subject>Stannides</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Structure of specific crystalline solids</subject><subject>THULIUM COMPOUNDS</subject><subject>TIN COMPOUNDS</subject><subject>X-RAY DIFFRACTION</subject><subject>YTTRIUM COMPOUNDS</subject><issn>0022-4596</issn><issn>1095-726X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2006</creationdate><recordtype>article</recordtype><recordid>eNp9kM1LxDAQxYMouK7-A54K4m1bJ-lHWvCyLH5BwcOuoKeQTtM1ZbctSSr439tQwZunmcPvzbz3CLmmEFGg2V0btdZixACyCJII4vyELCgUachZ9n5KFgCMhUlaZOfkwtoWgNI0Txak3DozohuNPKyCo9x3ymlcBbKrAzsodKa32A8aA-vGWisb9E3wsd5vu1WwO87Ts-Xo90ty1siDVVe_c0neHh92m-ewfH162azLEOM0d2EMnEtFm7pgFGvOkpRDksYUcloVuSogzbmqGFdQc1koKlnDK8U5VnFBUfJ4SW7mu711WljUTuEn9l03GRYMpgNx7ik2UziFsEY1YjD6KM23oCB8a6IVvjXhWxOQiKm1SXQ7iwZpUR4aIzvU9k-ZA-NF5rn7mVNTzi-tjLehOlS1Nt5F3ev_3vwAaEaBKA</recordid><startdate>20060801</startdate><enddate>20060801</enddate><creator>Peter Sebastian, C.</creator><creator>Eckert, Hellmut</creator><creator>Fehse, Constanze</creator><creator>Wright, Jon P.</creator><creator>Paul Attfield, J.</creator><creator>Johrendt, Dirk</creator><creator>Rayaprol, Sudhindra</creator><creator>Hoffmann, Rolf-Dieter</creator><creator>Pöttgen, Rainer</creator><general>Elsevier Inc</general><general>Elsevier</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>20060801</creationdate><title>Structural, magnetic, and spectroscopic studies of YAgSn, TmAgSn, and LuAgSn</title><author>Peter Sebastian, C. ; Eckert, Hellmut ; Fehse, Constanze ; Wright, Jon P. ; Paul Attfield, J. ; Johrendt, Dirk ; Rayaprol, Sudhindra ; Hoffmann, Rolf-Dieter ; Pöttgen, Rainer</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c358t-3077ae1fd921cd7245704531081b98e90587eb27e0d7a9e1a2f7be77cb391ca73</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2006</creationdate><topic>Alloys</topic><topic>ANNEALING</topic><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Exact sciences and technology</topic><topic>HEXAGONAL LATTICES</topic><topic>LUTETIUM COMPOUNDS</topic><topic>Magnetic resonances and relaxations in condensed matter, mössbauer effect</topic><topic>MAGNETIC SHIELDING</topic><topic>MAGNETIZATION</topic><topic>MATERIALS SCIENCE</topic><topic>MELTING</topic><topic>MOESSBAUER EFFECT</topic><topic>MONOCRYSTALS</topic><topic>Mossbauer effect; other γ-ray spectroscopy</topic><topic>Mössbauer effect; other γ-ray spectroscopy</topic><topic>Mössbauer spectroscopy</topic><topic>NUCLEAR MAGNETIC RESONANCE</topic><topic>PARAMAGNETISM</topic><topic>Physics</topic><topic>SILVER COMPOUNDS</topic><topic>Solid-state NMR</topic><topic>Stannides</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Structure of specific crystalline solids</topic><topic>THULIUM COMPOUNDS</topic><topic>TIN COMPOUNDS</topic><topic>X-RAY DIFFRACTION</topic><topic>YTTRIUM COMPOUNDS</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Peter Sebastian, C.</creatorcontrib><creatorcontrib>Eckert, Hellmut</creatorcontrib><creatorcontrib>Fehse, Constanze</creatorcontrib><creatorcontrib>Wright, Jon P.</creatorcontrib><creatorcontrib>Paul Attfield, J.</creatorcontrib><creatorcontrib>Johrendt, Dirk</creatorcontrib><creatorcontrib>Rayaprol, Sudhindra</creatorcontrib><creatorcontrib>Hoffmann, Rolf-Dieter</creatorcontrib><creatorcontrib>Pöttgen, Rainer</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>Journal of solid state chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Peter Sebastian, C.</au><au>Eckert, Hellmut</au><au>Fehse, Constanze</au><au>Wright, Jon P.</au><au>Paul Attfield, J.</au><au>Johrendt, Dirk</au><au>Rayaprol, Sudhindra</au><au>Hoffmann, Rolf-Dieter</au><au>Pöttgen, Rainer</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structural, magnetic, and spectroscopic studies of YAgSn, TmAgSn, and LuAgSn</atitle><jtitle>Journal of solid state chemistry</jtitle><date>2006-08-01</date><risdate>2006</risdate><volume>179</volume><issue>8</issue><spage>2376</spage><epage>2385</epage><pages>2376-2385</pages><issn>0022-4596</issn><eissn>1095-726X</eissn><coden>JSSCBI</coden><abstract>The rare earth–silver–stannides YAgSn, TmAgSn, and LuAgSn were synthesized from the elements by arc-melting and subsequent annealing. The three stannides were investigated by X-ray powder and single-crystal diffraction: NdPtSb type,
P6
3
mc,
Z
=
2
,
a
=
468.3
(
1
)
,
c
=
737.2
(
2
)
pm,
w
R
2
=
0.0343
, 353
F
2 values, 12 variables for YAgSn, and ZrNiAl type,
P6¯2
m,
a
=
726.4
(
2
)
,
c
=
443.7
(
1
)
pm
,
w
R
2
=
0.0399
, 659
F
2 values, 15 variables for TmAgSn, and
a
=
723.8
(
2
)
,
c
=
442.47
(
9
)
pm
,
w
R
2
=
0.0674
, 364
F
2 values, 15 variables for LuAgSn. Besides conventional laboratory X-ray data with monochromatized Mo radiation, the structures were also refined on the basis of synchrotron data with
λ
=
48.725
pm
, in order to clarify the silver–tin ordering more precisely. YAgSn has puckered, two-dimensional [AgSn] networks with Ag–Sn distances of 278
pm, while the [AgSn] networks of TmAgSn and LuAgSn are three-dimensional with Ag–Sn distances of 279 and 284
pm for LuAgSn. Susceptibility measurements indicate Pauli paramagnetism for YAgSn and LuAgSn. TmAgSn is a Curie–Weiss paramagnet with an experimental magnetic moment of 7.2
μ
B/Tm. No magnetic ordering is evident down to 2
K. The local environments of the tin sites in these compounds were characterized by
119Sn Mössbauer spectroscopy and solid-state NMR (in YAgSn and LuAgSn), confirming the tin site multiplicities proposed from the structure solutions and the absence of Sn/Ag site disordering. Mössbauer quadrupolar splittings were found in good agreement with calculated electric field gradients predicted quantum chemically by the WIEN2k code. Furthermore, an excellent correlation was found between experimental
119Sn nuclear magnetic shielding anisotropies (determined via MAS-NMR) and calculated electric field gradients. Electronic structure calculations predict metallic properties with strong Ag–Sn bonds and also significant Ag–Ag bonding in LuAgSn.
Crystal Structure of YAgSn.</abstract><cop>San Diego, CA</cop><pub>Elsevier Inc</pub><doi>10.1016/j.jssc.2006.04.038</doi><tpages>10</tpages></addata></record> |
fulltext | fulltext |
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language | eng |
recordid | cdi_osti_scitechconnect_20905387 |
source | ScienceDirect Freedom Collection |
subjects | Alloys ANNEALING Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Exact sciences and technology HEXAGONAL LATTICES LUTETIUM COMPOUNDS Magnetic resonances and relaxations in condensed matter, mössbauer effect MAGNETIC SHIELDING MAGNETIZATION MATERIALS SCIENCE MELTING MOESSBAUER EFFECT MONOCRYSTALS Mossbauer effect other γ-ray spectroscopy Mössbauer effect other γ-ray spectroscopy Mössbauer spectroscopy NUCLEAR MAGNETIC RESONANCE PARAMAGNETISM Physics SILVER COMPOUNDS Solid-state NMR Stannides Structure of solids and liquids crystallography Structure of specific crystalline solids THULIUM COMPOUNDS TIN COMPOUNDS X-RAY DIFFRACTION YTTRIUM COMPOUNDS |
title | Structural, magnetic, and spectroscopic studies of YAgSn, TmAgSn, and LuAgSn |
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