\textrm{Sr}_{2}\textrm{ScSbO}_{6}, HT
Contents
\(\textrm{Sr}_{2}\textrm{ScSbO}_{6}\), HT¶
Target
The same compound under external field, Temperature: Phase-Transition Sequence
Intermediate High Temperature First Distorted Phase: \(I\frac{2}{m}\) (non-standard of \(C\frac{2}{m}\), \(\#12\))
Finding the Transformation Matrix
Steps
\(P\frac{2_{1}}{n}\, \to \, I\frac{2}{m}\) Phase-Transition
AMPLIMODES, Use STRUCTURE RELATIONS: Transformation Matrix, for the Monoclinic
AMPLIMODES for FullProf with the non-standard: previous parent phase, as usual
Refinements
\(I\frac{2}{m}\, \to \, I\frac{4}{m}\) Phase-Transition
AMPLIMODES for FullProf with the standard: previous parent phase, and TM, as usual
Refinements
AMPLIMODES for FullProf with the non-standard: previous parent phase, as usual¶
\(430\, \textrm{K}\)
# F m -3 m
225
8.087481 8.087481 8.087481 90.00000 90.00000 90.00000
4
Sc 1 4b 0.00000 0.00000 0.00000
Sb 1 4a 0.50000 0.50000 0.50000
Sr 1 8c 0.25000 0.25000 0.25000
O 11 24e 0.25410 0.00000 0.00000
# I 1 2/M 1
012
5.70211 5.68611 8.02931 90.000000 89.956 90.000000
5
Sb 1 - 0.00000 0.00000 0.50000
Sc 1 - 0.00000 0.00000 0.00000
Sr 1 - 0.49931 0.00000 0.24940
O 1 - -0.04858 0.00000 0.25599
O 2 - 0.25649 0.25551 0.02363
Transformation Matrix:
[ 1/2 1/2 0 ] [ 0]
[ -1/2 1/2 0 ] [ 0]
[ 0 0 1 ] [ 0]
0.5a-0.5b,0.5a+0.5b,c; 0 0 0
AMPLIMODES for FullProf with the standard: previous parent phase, and TM, as usual¶
\(615\, \textrm{K}\)
# F m -3 m
225
8.087481 8.087481 8.087481 90.00000 90.00000 90.00000
4
Sc 1 4b 0.00000 0.00000 0.00000
Sb 1 4a 0.50000 0.50000 0.50000
Sr 1 8c 0.25000 0.25000 0.25000
O 11 24e 0.25410 0.00000 0.00000
# I 4/m
087
5.6929 5.6929 8.0641 90.00 90.00 90.00
5
Sr 1 4d -0.500000 0.000000 0.250000
Sb 1 2a 0.000000 0.000000 0.000000
Sc 1 2b 0.000000 0.000000 0.500000
O 1 4e 0.000000 0.000000 0.254500
O 2 8h -0.212500 -0.277000 0.500000
Transformation Matrix:
[ 1/2 1/2 0 ] [ 0]
[ -1/2 1/2 0 ] [ 0]
[ 0 0 1 ] [ 0]
0.5a-0.5b,0.5a+0.5b,c; 0 0 0