title: Analysis of LiKSO4 crystals in the temperature range from 573 to 943 K.
abstract: The structural phases observed in LiKSO4 crystals due to thermotropic transitions have been studied for more than a century. Nowadays many different phases are referenced, but some of the results are still controversial. Structural studies by single-crystal X-ray diffraction from room temperature to 803 K are presented here. Phase II (708 < T < 943 K) is extensively discussed on the basis of ordered and disordered models, using harmonic and anharmonic atomic displacements, and considering a twinned crystal composed of three orthorhombic domains. Analyses of the same phase at different temperatures determine the best structure model.
authors.affiliation: Departamento de Fisica, Icex, Universidade Federal de Minas Gerais, CEP 30123-970, Brazil. basilio@fisica.ufmg.br
authors.forename: C B
authors.initials: CB
authors.lastname: Pinheiro
authors.forename: M A
authors.initials: MA
authors.lastname: Pimenta
authors.forename: G
authors.initials: G
authors.lastname: Chapuis
authors.forename: N L
authors.initials: NL
authors.lastname: Speziali
mesh_terms: D003460:Crystallization; D018360:Crystallography, X-Ray; D008094:Lithium / Q000737:chemistry*; D008958:Models, Molecular; D011188:Potassium / Q000737:chemistry*; D013431:Sulfates / Q000737:chemistry*; D013696:Temperature
chemical_list: D013431:Sulfates; D008094:Lithium; D011188:Potassium