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Formation of Mixed Bond‐Angle Linkages in Zinc Boromolybdate Glasses
Author(s) -
Fabian Margit,
Svab Erzsebet
Publication year - 2016
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/jace.14233
Subject(s) - crystallography , superstructure , coordination number , reverse monte carlo , bond length , tetrahedron , neutron diffraction , zinc , molecular geometry , materials science , chemistry , crystal structure , molecule , physics , metallurgy , thermodynamics , ion , organic chemistry
The short and medium range structure of glassy MoO 3 –ZnO–B 2 O 3 has been studied by neutron diffraction and reverse Monte Carlo simulation. The partial atomic pair correlation functions and coordination numbers are presented that are not yet reported for this system. We have established that the first neighbor distances do not depend on concentration within limit of error, the actual values are r B‐O = 1.38 Å, r Mo‐O = 1.72 Å, and r Zn‐O = 1.97 Å. It is found that ZnO takes part in the glassy structure as network former, as ZnO 4 tetrahedral are linked both to MoO 4 and to BO 3 and BO 4 groups. It is revealed that BO 4 /BO 3 increases with increasing B 2 O 3 content. We have found that only small amount of boroxol ring is present, BO 3 and BO 4 groups are organized into superstructure units, and a small part is in isolated BO 3 triangles. The BO 3 and BO 4 units are linked to MoO 4 or ZnO 4 forming mixed [4] Mo‐O‐ [3] B, [4] Mo‐O‐ [4] B, [4] Mo‐O‐ [4] Zn, [3] B‐O‐ [4] Zn, [4] B‐O‐ [4] Zn bond linkages.