Contents

\textrm{Sr}_{2}\textrm{CoTeO}_{6}, RT

\(\textrm{Sr}_{2}\textrm{CoTeO}_{6}\), RT



Target

  1. Another compound, from another family: the same parent phase


Steps

  1. AMPLIMODES with non-standard: previous parent phase

  2. 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


Refinements





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\(\textrm{Sr}_{2}\textrm{ScSbO}_{6}\), RT

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\(\textrm{Sr}_{2}\textrm{ScSbO}_{6}\), HT