FIRST PRINCIPLE MODELING OF THE LITHIUM IMIDE CRYSTAL STRUCTURE IN A LOW-TEMPERATURE PHASE

2020 ◽  
Vol 61 (10) ◽  
Polymer ◽  
1981 ◽  
Vol 22 (11) ◽  
pp. 1480-1486 ◽  
Author(s):  
J.J. Weeks ◽  
E.S. Clark ◽  
R.K. Eby

1981 ◽  
Vol 36 (9) ◽  
pp. 967-974 ◽  
Author(s):  
Gerhard Fecher ◽  
Alarich Weiss ◽  
Gernot Heger

Abstract The crystal structure of the low temperature phase of anilinium bromide, C6H5NH3⊕Br⊖, was studied by neutron diffraction at T = 100 K. The refinement supports an ordered structure. The structures of the low and high temperature phases are compared and the mechanism of the phase transformation is discussed.


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