\textrm{Sr}_{2}\textrm{CoTeO}_{6}, RT
Contents
Target
Another compound, from another family: the same parent phase
Steps
AMPLIMODES with non-standard: previous parent phase
AMPLIMODES with non-standard: parent phase from the paper
Take the structure from the thesis¶
# P 1 21/n 1
014
5.6437 5.6096 7.9271 90.00 90.059 90.00
6
Te 1 - 0.000000 0.000000 0.000000
Co 1 - 0.000000 0.000000 0.500000
Sr 1 - 0.499900 0.006600 0.249300
O 1 - 0.949900 0.002800 0.737600
O 2 - 0.275100 0.245200 0.972100
O 3 - 0.753600 0.272700 0.022400
Convert non-standard to standard¶
# P 1 21/c 1
014
7.9271 5.6096 9.7262 90.00 144.53 90.00
6
Te 1 2a 0.000000 0.000000 0.000000
Co 1 2b 0.500000 0.000000 0.000000
Sr 1 4e -0.250600 0.006600 -0.499900
O 1 4e -0.212300 0.002800 -0.949900
O 2 4e 0.697000 0.245200 -0.275100
O 3 4e -0.731200 0.272700 -0.753600
AMPLIMODES for FullProf with non-standard, previous parent¶
# F m -3 m
225
8.087481 8.087481 8.087481 90.00000 90.00000 90.00000
4
Te 1 4a 0.000000 0.000000 0.000000
Co 1 4b 0.500000 0.500000 0.500000
Sr 1 8c 0.250000 0.250000 0.250000
O 11 24e 0.254100 0.000000 0.000000
Transformation Matrix:
c,b,-a-c
# P 1 21/n 1
014
5.6437 5.6096 7.9271 90.00 90.059 90.00
6
Te 1 - 0.000000 0.000000 0.000000
Co 1 - 0.000000 0.000000 0.500000
Sr 1 - 0.499900 0.006600 0.249300
O 1 - 0.949900 0.002800 0.737600
O 2 - 0.275100 0.245200 0.972100
O 3 - 0.753600 0.272700 0.022400
AMPLIMODES for FullProf with non-standard, parent from paper¶
# F m -3 m
225
7.9209 7.9209 7.9209 90.00000 90.00000 90.00000
4
Te 1 4a 0.000000 0.000000 0.000000
Co 1 4b 0.500000 0.500000 0.500000
Sr 1 8c 0.250000 0.250000 0.250000
O 11 24e 0.247100 0.000000 0.000000
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
# P 1 21/n 1
014
5.6437 5.6096 7.9271 90.00 90.059 90.00
6
Te 1 - 0.000000 0.000000 0.000000
Co 1 - 0.000000 0.000000 0.500000
Sr 1 - 0.499900 0.006600 0.249300
O 1 - 0.949900 0.002800 0.737600
O 2 - 0.275100 0.245200 0.972100
O 3 - 0.753600 0.272700 0.022400