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Short‐Range and Medium‐Range Order in Lithium Silicate Glasses, Part II: Simulation of the Structure by the Reverse Monte Carlo Method
Author(s) -
Uhlig Harald,
Hoffmann Michael J.,
Lamparter HannesPeter,
Aldinger Fritz,
Bellissent Robert,
Steeb Siegfried
Publication year - 1996
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1151-2916.1996.tb08717.x
Subject(s) - reverse monte carlo , lithium (medication) , multipole expansion , tetragonal crystal system , neutron diffraction , silicate , monte carlo method , crystallography , tetrahedron , materials science , lithium atom , range (aeronautics) , atom (system on chip) , chemistry , ion , crystal structure , physics , medicine , statistics , mathematics , organic chemistry , quantum mechanics , computer science , embedded system , composite material , endocrinology , ionization
The results of X‐ray and neutron diffraction experiments with (Li 2 O) x (SiO 2 ) 100_x glasses (x = 0, 20, 33.3, and 40) are discussed using the Reverse Monte Carlo method to produce atomic clusters, which are analyzed with respect to the O‐O distribution, the angular correlations within the first and higher coordination spheres, and the bond‐orientational multipole moments. Within Li 2 O‐containing silicate glasses, each lithium atom is surrounded by a ring of six SiO 4 tetrahedra in such a way that four oxygen atoms lie at the joints of a tetragonal cell centered by lithium. Thus, the lithium atoms increase the order of the glass.