data_global
_amcsd_formula_title 'NaFe[SeO4]2'
loop_
_publ_author_name
'Giester G'
_journal_name_full 'Mineralogy and Petrology'
_journal_volume 48 
_journal_year 1993
_journal_page_first 227
_journal_page_last 233
_publ_section_title
;
 Crystal structure of the yavapaiite type compound NaFe[SeO4]2
;
_database_code_amcsd 0014635
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na Fe Se2 O8'
_cell_length_a 8.231
_cell_length_b 5.425
_cell_length_c 7.176
_cell_angle_alpha 90
_cell_angle_beta 92.44
_cell_angle_gamma 90
_cell_volume 320.141
_exptl_crystal_density_diffrn      3.784
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na   0.00000   0.00000   0.50000
Fe   0.00000   0.00000   0.00000
Se   0.36520   0.00000   0.22411
O1   0.23620   0.00000   0.04350
O2   0.28620   0.00000   0.42460
O3   0.48220   0.24630   0.20480
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
Na 0.03540 0.03740 0.01770 0.00000 0.00280 0.00000
Fe 0.01210 0.01040 0.01290 0.00000 -0.00270 0.00000
Se 0.01330 0.00900 0.01180 0.00000 -0.00090 0.00000
O1 0.01430 0.01670 0.01690 0.00000 -0.00490 0.00000
O2 0.03140 0.03780 0.01410 0.00000 0.00660 0.00000
O3 0.02380 0.01210 0.02140 -0.00730 -0.00800 0.00510