ThuliumV1, Ncbi, Checkpoint, bibRecord, 000786

Thulium nickel/lithium distannide, TmNi1−xLixSn2 (x = 0.035)

Identifieur interne : 000786 ( Ncbi/Checkpoint ); précédent : 000785; suivant : 000787

Thulium nickel/lithium distannide, TmNi1−xLixSn2 (x = 0.035)

Auteurs : Andrij Stetskiv [Ukraine] ; Ivan Tarasiuk [Ukraine] ; Renata Misztal [Pologne] ; Volodymyr Pavlyuk [Ukraine, Pologne]

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2013.

RBID : PMC:3884236

Abstract

The quaternary thulium nickel/lithium distannide, TmNi_1−xLi_xSn₂ (x = 0.035), crystallizes in the orthorhombic 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 cubooctahedron, and another Sn atom is enclosed in a pentagonal 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 interatomic distances and electronic structure calculations indicate the dominance of a metallic type of bonding.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884236

DOI: 10.1107/S1600536813027335
PubMed: 24454012
PubMed Central: 3884236

Affiliations:

Pologne, Ukraine

Links to Exploration step

PMC:3884236

Le document en format XML

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 (<italic>x</italic>
 = 0.035)</title>
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Li<sub><italic>x</italic>
</sub>
Sn<sub>2</sub>
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<front><div type="abstract" xml:lang="en"><p>The quaternary thulium nickel/lithium distannide, TmNi<sub>1−<italic>x</italic>
</sub>
Li<sub><italic>x</italic>
</sub>
Sn<sub>2</sub>
 (<italic>x</italic>
 = 0.035), crystallizes in the orthorhombic LuNiSn<sub>2</sub>
 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 .<italic>m</italic>
. 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 cubooctahedron, and another Sn atom is enclosed in a pentagonal 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/LiTm<sub>5</sub>
Sn<sub>5</sub>
]). Tm atoms form the base of a prism and Ni/Li atoms are at the centres of the side faces of an [SnTm<sub>6</sub>
Ni/Li<sub>3</sub>
] 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 <italic>n</italic>
[TmNi/Li]<sup><italic>m</italic>
+</sup>
 polycations which compensate the negative charge of 2<italic>n</italic>
[Sn]<sup><italic>m</italic>
−</sup>
 polyanions. Analysis of the interatomic distances and electronic structure calculations indicate the dominance of a metallic type of bonding.</p>
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Thulium nickel/lithium distannide, TmNi1−xLixSn2 (x = 0.035)

Thulium nickel/lithium distannide, TmNi1−xLixSn2 (x = 0.035)

Source :

Abstract

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