Bilbao Crystallographic Server -- Sururi Branch -- arrow Transform structure Help

Transform structure ID: [32]

Transformation matrix: a-b,-a-b,-c

High symmetry structure

164
5.906 5.906 7.552 90. 90. 120.
6
Se	1	2d	0.333333	0.666667	0.272410
K	1	2d	0.333333	0.666667	0.824000
K	2	1b	0.000000	0.000000	0.500000
Na	1	1a	0.000000	0.000000	0.000000
O	1	2d	0.333333	0.666667	0.485200
O	2	6i	0.184200	0.368400	0.196500

Low symmetry structure

012
10.229492 5.906000 7.552000 90.000000 90.000000 90.000000 
7
Se	1	4i	0.833333	0.500000	0.727590
K	1	4i	0.833333	0.500000	0.176000
K	2	2c	0.000000	0.000000	0.500000
Na	1	2a	0.000000	0.000000	0.000000
O	1	4i	0.833333	0.500000	0.514800
O	2	8j	0.907900	0.723700	0.803500
O	2_2	4i	0.184200	0.000000	0.803500

Space Group: 12
Lattice Parameters: 10.229492 5.906000 7.552000 90 90 90

AT # WP Coordinates
Se14i5/61/20.72759
K14i5/61/20.17600
K22c001/2
Na12a000
O14i5/61/20.51480
O28j0.907900.723700.80350
O2_24i0.1842000.80350

Atoms Data:

AT. WP SS Representative Atomic orbit
Se1 4i (x,0,z) m 
(0.833333,0.500000,0.727590)
 
(0.833333,0.500000,0.727590)
(0.166667,0.500000,0.272410)
(0.333333,0.000000,0.727590)
(0.666667,0.000000,0.272410)
K1 4i (x,0,z) m 
(0.833333,0.500000,0.176000)
 
(0.833333,0.500000,0.176000)
(0.166667,0.500000,0.824000)
(0.333333,0.000000,0.176000)
(0.666667,0.000000,0.824000)
K2 2c (0,0,1/2) 2/m 
(0.000000,0.000000,0.500000)
 
(0.000000,0.000000,0.500000)
(0.500000,0.500000,0.500000)
Na1 2a (0,0,0) 2/m 
(0.000000,0.000000,0.000000)
 
(0.000000,0.000000,0.000000)
(0.500000,0.500000,0.000000)
O1 4i (x,0,z) m 
(0.833333,0.500000,0.514800)
 
(0.833333,0.500000,0.514800)
(0.166667,0.500000,0.485200)
(0.333333,0.000000,0.514800)
(0.666667,0.000000,0.485200)
O2 8j (x,y,z) 1 
(0.907900,0.723700,0.803500)
 
(0.907900,0.723700,0.803500)
(0.092100,0.723700,0.196500)
(0.092100,0.276300,0.196500)
(0.907900,0.276300,0.803500)
(0.407900,0.223700,0.803500)
(0.592100,0.223700,0.196500)
(0.592100,0.776300,0.196500)
(0.407900,0.776300,0.803500)
O2_2 4i (x,0,z) m 
(0.184200,0.000000,0.803500)
 
(0.184200,0.000000,0.803500)
(0.815800,0.000000,0.196500)
(0.684200,0.500000,0.803500)
(0.315800,0.500000,0.196500)


Note: The data shown in this table are correct if the input structure is referred to standard setting.





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