data_global
_amcsd_formula_title 'NaSrAlF6'
loop_
_publ_author_name
'Hemon A'
'Le Bail A'
'Courbion G'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 27 
_journal_year 1990
_journal_page_first 905
_journal_page_last 912
_publ_section_title
;
 Synthesis and crystal structure of NaSrAlF6
 _cod_database_code 1000098
;
_database_code_amcsd 0012538
_chemical_formula_sum 'Sr Al Na F6'
_cell_length_a 18.303
_cell_length_b 5.3122
_cell_length_c 9.4200
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 915.899
_exptl_crystal_density_diffrn      3.649
_symmetry_space_group_name_H-M 'P n a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr1   0.11510   0.75560   0.00000
Sr2   0.36610   0.75650   0.13670
Al1   0.24560   0.25460   0.24340
Al2   0.50540   0.73740   0.40100
Na1   0.06430   0.26000   0.27150
Na2   0.18650   0.75770   0.36800
F1   0.20930   0.00200   0.83670
F2   0.18340   0.20730   0.39040
F3   0.19200   0.53440   0.82510
F4   0.05890   0.02170   0.81220
F5   0.46270   0.99170   0.29910
F6   0.44040   0.79900   0.54010
F7   0.03990   0.03300   0.49190
F8   0.19020   0.80250   0.60610
F9   0.06800   0.81980   0.25210
F10   0.29180   0.48860   0.65140
F11   0.42780   0.05100   0.96940
F12   0.31780   0.97410   0.67110
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sr1 0.01080 0.01000 0.00850 0.00000 -0.00110 -0.00010
Sr2 0.01070 0.01130 0.00630 -0.00050 0.00030 -0.00060
Al1 0.00890 0.00670 0.00950 -0.00100 0.00200 -0.00030
Al2 0.00750 0.00690 0.00800 -0.00010 -0.00160 0.00140
Na1 0.01830 0.01400 0.00250 0.00370 0.00040 0.00110
Na2 0.02450 0.01340 0.03270 0.00280 0.00480 0.00060
F1 0.01500 0.00990 0.01490 0.00550 0.00490 -0.00160
F2 0.01290 0.02240 0.01220 -0.00260 0.01000 -0.00250
F3 0.01540 0.00810 0.01380 -0.00320 0.00260 0.00000
F4 0.01570 0.01510 0.02630 0.00620 0.00960 0.00510
F5 0.01490 0.01190 0.02170 -0.00400 0.00280 0.00780
F6 0.03010 0.03510 0.01110 0.02040 0.00750 -0.00040
F7 0.02580 0.01100 0.01880 -0.00500 -0.00440 -0.00170
F8 0.02050 0.03190 0.01250 0.00420 -0.00710 -0.00720
F9 0.01410 0.01690 0.02320 -0.00180 0.00100 0.00660
F10 0.02620 0.01730 0.01560 0.00810 0.00620 -0.00130
F11 0.01890 0.01560 0.01990 -0.00320 0.00670 0.00260
F12 0.02840 0.01460 0.02930 -0.00520 0.01660 0.00470