data_global
_chemical_name_mineral 'Wardite'
loop_
_publ_author_name
'Fanfani L'
'Nunzi A'
'Zanazzi P F'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 37 
_journal_year 1970
_journal_page_first 598
_journal_page_last 605
_publ_section_title
;
 The crystal structure of wardite
;
_database_code_amcsd 0014451
_chemical_compound_source 'Fairfield, Utah, USA'
_chemical_formula_sum 'P2 Al3 Na O14 H8'
_cell_length_a 7.03
_cell_length_b 7.03
_cell_length_c 19.04
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 940.974
_exptl_crystal_density_diffrn      2.809
_symmetry_space_group_name_H-M 'P 41 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '1/2-y,1/2+x,1/4+z'
  '1/2-x,1/2+y,1/4-z'
  '-x,-y,1/2+z'
  '-y,-x,1/2-z'
  '1/2+y,1/2-x,3/4+z'
  '1/2+x,1/2-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P   0.14270   0.36590   0.34880   0.01115
Al(1)   0.39840   0.10570   0.25810   0.01077
Al(2)   0.10290   0.10290   0.00000   0.01520
Na   0.37330   0.37330   0.50000   0.02812
O(1)  -0.03170   0.42790   0.30910   0.02343
O(2)   0.29600   0.51120   0.33780   0.02077
O(3)   0.20310   0.17710   0.32160   0.02533
O(4)   0.09940   0.35320   0.42740   0.01976
O-H(5)   0.13260   0.35370  -0.03940   0.02077
Wat(6)   0.18830   0.02940   0.19150   0.02875
O-H(7)   0.40830   0.34890   0.21730   0.02001
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
P 0.01202 0.01027 0.01102 0.00075 -0.00136 0.00068
Al(1) 0.01252 0.00876 0.01102 0.00050 0.00203 0.00203
Al(2) 0.01828 0.01828 0.00918 -0.00100 -0.00136 0.00136
Na 0.03480 0.03480 0.01469 0.00476 0.00475 -0.00475
O(1) 0.00851 0.03781 0.02388 0.00325 -0.00271 0.00068
O(2) 0.02754 0.03280 0.00184 -0.00225 0.00475 -0.00407
O(3) 0.03055 0.02704 0.01837 -0.00626 0.00271 -0.00136
O(4) 0.03405 0.01803 0.00735 0.01427 0.00610 0.00407
O-H(5) 0.01953 0.02829 0.01469 -0.00050 -0.00136 0.00068
Wat(6) 0.03906 0.03655 0.01102 -0.00426 -0.00339 -0.00407
O-H(7) 0.02228 0.02479 0.01286 -0.01052 0.00136 -0.00339