Thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035).
Identifieur interne : 000213 ( PubMed/Corpus ); précédent : 000212; suivant : 000214Thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035).
Auteurs : Andrij Stetskiv ; Ivan Tarasiuk ; Renata Misztal ; Volodymyr PavlyukSource :
- Acta crystallographica. Section E, Structure reports online [ 1600-5368 ] ; 2013.
Abstract
The quaternary thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035), crystallizes in the ortho-rhom-bic LuNiSn2 structure type. The asymmetric unit contains three Tm sites, six Sn sites, two Ni sites and one Ni/Li site [relative occupancies = 0.895 (8):0.185 (8)]. Site symmetries are .m. for all atoms. The 17-, 18- and 19-vertex distorted pseudo-Frank-Kasper polyhedra are typical for all Tm atoms. Four Sn atoms are enclosed in a 12-vertex deformed cubo-octa-hedron, and another Sn atom is enclosed in a penta-gonal prism with three added atoms. A tricapped trigonal prism is typical for a further Sn atom. The coordination number for all Ni atoms and Ni/Li statistical mixtures is 12 (fourcapped trigonal prism [Ni/LiTm5Sn5]). Tm atoms form the base of a prism and Ni/Li atoms are at the centres of the side faces of an [SnTm6Ni/Li3] prism. These isolated prisms are implemented into three-dimensional-nets built out of Sn atoms. Electronic structure calculations using TB-LMTO-ASA suggest that the Tm and Ni/Li atoms form positively charged n[TmNi/Li] (m+) polycations which compensate the negative charge of 2n[Sn] (m-) polyanions. Analysis of the inter-atomic distances and electronic structure calculations indicate the dominance of a metallic type of bonding.
DOI: 10.1107/S1600536813027335
PubMed: 24454012
Links to Exploration step
pubmed:24454012Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035).</title>
<author><name sortKey="Stetskiv, Andrij" sort="Stetskiv, Andrij" uniqKey="Stetskiv A" first="Andrij" last="Stetskiv">Andrij Stetskiv</name>
<affiliation><nlm:affiliation>Ivano-Frankivsk National Medical University, Department of Chemistry, Galytska str. 2, 76018 Ivano-Frankivsk, Ukraine.</nlm:affiliation>
</affiliation>
</author>
<author><name sortKey="Tarasiuk, Ivan" sort="Tarasiuk, Ivan" uniqKey="Tarasiuk I" first="Ivan" last="Tarasiuk">Ivan Tarasiuk</name>
<affiliation><nlm:affiliation>Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla and Mefodiya str. 6, 79005 Lviv, Ukraine.</nlm:affiliation>
</affiliation>
</author>
<author><name sortKey="Misztal, Renata" sort="Misztal, Renata" uniqKey="Misztal R" first="Renata" last="Misztal">Renata Misztal</name>
<affiliation><nlm:affiliation>Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.</nlm:affiliation>
</affiliation>
</author>
<author><name sortKey="Pavlyuk, Volodymyr" sort="Pavlyuk, Volodymyr" uniqKey="Pavlyuk V" first="Volodymyr" last="Pavlyuk">Volodymyr Pavlyuk</name>
<affiliation><nlm:affiliation>Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla and Mefodiya str. 6, 79005 Lviv, Ukraine ; Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.</nlm:affiliation>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PubMed</idno>
<date when="2013">2013</date>
<idno type="doi">10.1107/S1600536813027335</idno>
<idno type="RBID">pubmed:24454012</idno>
<idno type="pmid">24454012</idno>
<idno type="wicri:Area/PubMed/Corpus">000213</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">000213</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en">Thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035).</title>
<author><name sortKey="Stetskiv, Andrij" sort="Stetskiv, Andrij" uniqKey="Stetskiv A" first="Andrij" last="Stetskiv">Andrij Stetskiv</name>
<affiliation><nlm:affiliation>Ivano-Frankivsk National Medical University, Department of Chemistry, Galytska str. 2, 76018 Ivano-Frankivsk, Ukraine.</nlm:affiliation>
</affiliation>
</author>
<author><name sortKey="Tarasiuk, Ivan" sort="Tarasiuk, Ivan" uniqKey="Tarasiuk I" first="Ivan" last="Tarasiuk">Ivan Tarasiuk</name>
<affiliation><nlm:affiliation>Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla and Mefodiya str. 6, 79005 Lviv, Ukraine.</nlm:affiliation>
</affiliation>
</author>
<author><name sortKey="Misztal, Renata" sort="Misztal, Renata" uniqKey="Misztal R" first="Renata" last="Misztal">Renata Misztal</name>
<affiliation><nlm:affiliation>Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.</nlm:affiliation>
</affiliation>
</author>
<author><name sortKey="Pavlyuk, Volodymyr" sort="Pavlyuk, Volodymyr" uniqKey="Pavlyuk V" first="Volodymyr" last="Pavlyuk">Volodymyr Pavlyuk</name>
<affiliation><nlm:affiliation>Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla and Mefodiya str. 6, 79005 Lviv, Ukraine ; Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.</nlm:affiliation>
</affiliation>
</author>
</analytic>
<series><title level="j">Acta crystallographica. Section E, Structure reports online</title>
<idno type="eISSN">1600-5368</idno>
<imprint><date when="2013" type="published">2013</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">The quaternary thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035), crystallizes in the ortho-rhom-bic LuNiSn2 structure type. The asymmetric unit contains three Tm sites, six Sn sites, two Ni sites and one Ni/Li site [relative occupancies = 0.895 (8):0.185 (8)]. Site symmetries are .m. for all atoms. The 17-, 18- and 19-vertex distorted pseudo-Frank-Kasper polyhedra are typical for all Tm atoms. Four Sn atoms are enclosed in a 12-vertex deformed cubo-octa-hedron, and another Sn atom is enclosed in a penta-gonal prism with three added atoms. A tricapped trigonal prism is typical for a further Sn atom. The coordination number for all Ni atoms and Ni/Li statistical mixtures is 12 (fourcapped trigonal prism [Ni/LiTm5Sn5]). Tm atoms form the base of a prism and Ni/Li atoms are at the centres of the side faces of an [SnTm6Ni/Li3] prism. These isolated prisms are implemented into three-dimensional-nets built out of Sn atoms. Electronic structure calculations using TB-LMTO-ASA suggest that the Tm and Ni/Li atoms form positively charged n[TmNi/Li] (m+) polycations which compensate the negative charge of 2n[Sn] (m-) polyanions. Analysis of the inter-atomic distances and electronic structure calculations indicate the dominance of a metallic type of bonding.</div>
</front>
</TEI>
<pubmed><MedlineCitation Owner="NLM" Status="PubMed-not-MEDLINE"><PMID Version="1">24454012</PMID>
<DateCreated><Year>2014</Year>
<Month>01</Month>
<Day>23</Day>
</DateCreated>
<DateCompleted><Year>2014</Year>
<Month>01</Month>
<Day>23</Day>
</DateCompleted>
<DateRevised><Year>2014</Year>
<Month>01</Month>
<Day>27</Day>
</DateRevised>
<Article PubModel="Electronic-eCollection"><Journal><ISSN IssnType="Electronic">1600-5368</ISSN>
<JournalIssue CitedMedium="Print"><Volume>69</Volume>
<Issue>Pt 11</Issue>
<PubDate><Year>2013</Year>
<Month>Oct</Month>
<Day>12</Day>
</PubDate>
</JournalIssue>
<Title>Acta crystallographica. Section E, Structure reports online</Title>
<ISOAbbreviation>Acta Crystallogr Sect E Struct Rep Online</ISOAbbreviation>
</Journal>
<ArticleTitle>Thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035).</ArticleTitle>
<Pagination><MedlinePgn>i76</MedlinePgn>
</Pagination>
<ELocationID EIdType="doi" ValidYN="Y">10.1107/S1600536813027335</ELocationID>
<Abstract><AbstractText>The quaternary thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035), crystallizes in the ortho-rhom-bic LuNiSn2 structure type. The asymmetric unit contains three Tm sites, six Sn sites, two Ni sites and one Ni/Li site [relative occupancies = 0.895 (8):0.185 (8)]. Site symmetries are .m. for all atoms. The 17-, 18- and 19-vertex distorted pseudo-Frank-Kasper polyhedra are typical for all Tm atoms. Four Sn atoms are enclosed in a 12-vertex deformed cubo-octa-hedron, and another Sn atom is enclosed in a penta-gonal prism with three added atoms. A tricapped trigonal prism is typical for a further Sn atom. The coordination number for all Ni atoms and Ni/Li statistical mixtures is 12 (fourcapped trigonal prism [Ni/LiTm5Sn5]). Tm atoms form the base of a prism and Ni/Li atoms are at the centres of the side faces of an [SnTm6Ni/Li3] prism. These isolated prisms are implemented into three-dimensional-nets built out of Sn atoms. Electronic structure calculations using TB-LMTO-ASA suggest that the Tm and Ni/Li atoms form positively charged n[TmNi/Li] (m+) polycations which compensate the negative charge of 2n[Sn] (m-) polyanions. Analysis of the inter-atomic distances and electronic structure calculations indicate the dominance of a metallic type of bonding.</AbstractText>
</Abstract>
<AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Stetskiv</LastName>
<ForeName>Andrij</ForeName>
<Initials>A</Initials>
<AffiliationInfo><Affiliation>Ivano-Frankivsk National Medical University, Department of Chemistry, Galytska str. 2, 76018 Ivano-Frankivsk, Ukraine.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Tarasiuk</LastName>
<ForeName>Ivan</ForeName>
<Initials>I</Initials>
<AffiliationInfo><Affiliation>Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla and Mefodiya str. 6, 79005 Lviv, Ukraine.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Misztal</LastName>
<ForeName>Renata</ForeName>
<Initials>R</Initials>
<AffiliationInfo><Affiliation>Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Pavlyuk</LastName>
<ForeName>Volodymyr</ForeName>
<Initials>V</Initials>
<AffiliationInfo><Affiliation>Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla and Mefodiya str. 6, 79005 Lviv, Ukraine ; Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.</Affiliation>
</AffiliationInfo>
</Author>
</AuthorList>
<Language>eng</Language>
<PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType>
</PublicationTypeList>
<ArticleDate DateType="Electronic"><Year>2013</Year>
<Month>10</Month>
<Day>12</Day>
</ArticleDate>
</Article>
<MedlineJournalInfo><Country>United States</Country>
<MedlineTA>Acta Crystallogr Sect E Struct Rep Online</MedlineTA>
<NlmUniqueID>101089178</NlmUniqueID>
<ISSNLinking>1600-5368</ISSNLinking>
</MedlineJournalInfo>
<OtherID Source="NLM">PMC3884236</OtherID>
</MedlineCitation>
<PubmedData><History><PubMedPubDate PubStatus="ecollection"><Year>2013</Year>
<Month>11</Month>
<Day>01</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="received"><Year>2013</Year>
<Month>9</Month>
<Day>27</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="accepted"><Year>2013</Year>
<Month>10</Month>
<Day>04</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="epublish"><Year>2013</Year>
<Month>10</Month>
<Day>12</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="entrez"><Year>2014</Year>
<Month>1</Month>
<Day>24</Day>
<Hour>6</Hour>
<Minute>0</Minute>
</PubMedPubDate>
<PubMedPubDate PubStatus="pubmed"><Year>2014</Year>
<Month>1</Month>
<Day>24</Day>
<Hour>6</Hour>
<Minute>0</Minute>
</PubMedPubDate>
<PubMedPubDate PubStatus="medline"><Year>2014</Year>
<Month>1</Month>
<Day>24</Day>
<Hour>6</Hour>
<Minute>1</Minute>
</PubMedPubDate>
</History>
<PublicationStatus>epublish</PublicationStatus>
<ArticleIdList><ArticleId IdType="doi">10.1107/S1600536813027335</ArticleId>
<ArticleId IdType="pii">ff2120</ArticleId>
<ArticleId IdType="pubmed">24454012</ArticleId>
<ArticleId IdType="pmc">PMC3884236</ArticleId>
</ArticleIdList>
</PubmedData>
</pubmed>
</record>
Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Wicri/Terre/explor/ThuliumV1/Data/PubMed/Corpus
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000213 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/PubMed/Corpus/biblio.hfd -nk 000213 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien |wiki= Wicri/Terre |area= ThuliumV1 |flux= PubMed |étape= Corpus |type= RBID |clé= pubmed:24454012 |texte= Thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035). }}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/PubMed/Corpus/RBID.i -Sk "pubmed:24454012" \ | HfdSelect -Kh $EXPLOR_AREA/Data/PubMed/Corpus/biblio.hfd \ | NlmPubMed2Wicri -a ThuliumV1
![]() | This area was generated with Dilib version V0.6.21. | ![]() |