Linked Life Data

17887750

Source:http://linkedlifedata.com/resource/pubmed/id/17887750

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PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
21
pubmed:dateCreated
2007-10-8
pubmed:abstractText
The title phases were synthesized via high-temperature solid-state methods and structurally characterized by single-crystal X-ray diffraction. The phase widths of both SrMg(x)In(4-x) (0.85 <or= x <or= 1.53) and BaMg(x)In(4-x) (0 <or= x <or= 1.79) are consistent with size matches between Ae and the encapsulating M-In cages. All compounds crystallize in body-centered tetragonal BaAl(4)-type structure (I4/mmm, Z = 2) except that SrMg(x)In(4-x), 0.85 <or= x <or= 1.24, occurs in the lower-symmetry space group (I4m2, Z = 2) and the atoms are all ordered at the composition SrMgIn(3). The substitution of the effectively smaller Mg or Zn atoms into the indium sublattice of the monoclinic SrIn(4) (C2/m) dramatically changes the structure into the tetragonal BaAl(4)-type structure. Compared with the Mg compounds in which all Mg occupy the basal 4d crystallographic site, Zn occupies the other 4e (apical) site in both BaZn(0.79(2))In(3.21) and SrZn(1.00(4))In(3.00). These differences are related to the interplay of size and electronic factors. The latter may be expressed by not only electronegativities but also total energies according to linear muffin-tin-orbital calculations.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Oct
pubmed:issn
0020-1669
pubmed:author
pubmed:issnType
Print
pubmed:day
15
pubmed:volume
46
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
8812-8
pubmed:year
2007
pubmed:articleTitle
Syntheses and structures of new phases AeMxIn(4-x) (Ae = Sr, Ba; M = Mg, Zn): size effects and site preferences in BaAl4-type structures.
pubmed:affiliation
Ames Laboratory, U.S. DOE and Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
pubmed:publicationType
Journal Article