data_global
_chemical_name_mineral 'Cryolite'
loop_
_publ_author_name
'Zhou Q'
'Kennedy B J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 177 
_journal_year 2004
_journal_page_first 654
_journal_page_last 659
_publ_section_title
;
 High-temperature powder synchrotron diffraction studies of synthetic cryolite
 Na3AlF6
 Sample: T = room temperature
 Note: reported and calculated bond lengths disagree
;
_database_code_amcsd 0014038
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na3 Al F6'
_cell_length_a 5.3956
_cell_length_b 5.5821
_cell_length_c 7.7568
_cell_angle_alpha 90
_cell_angle_beta 90.181
_cell_angle_gamma 90
_cell_volume 233.624
_exptl_crystal_density_diffrn      2.984
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1   0.00000   0.00000   0.50000   0.01013
Na2   0.51400   0.94920   0.24800   0.01900
Al   0.00000   0.00000   0.00000   0.01520
F1   0.10430   0.04710   0.21970   0.00887
F2   0.72650   0.17730   0.04880   0.01393
F3   0.16450   0.27460   0.93680   0.01140