data_global
_amcsd_formula_title 'Na3PO4(NaOH).167*12H2O'
loop_
_publ_author_name
'Tillmanns E'
'Baur W H'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 27 
_journal_year 1971
_journal_page_first 2124
_journal_page_last 2132
_publ_section_title
;
 On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo
 trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts
;
_database_code_amcsd 0009400
_chemical_formula_sum 'Na6.335 O32.335 P2 H48.335'
_cell_length_a 11.890
_cell_length_b 11.890
_cell_length_c 12.671
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1551.334
_exptl_crystal_density_diffrn      1.656
_symmetry_space_group_name_H-M 'P -3 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,-x+y,-z'
  '-x,-x+y,1/2-z'
  '-x+y,-x,z'
  '-x+y,y,1/2+z'
  '-x,-y,-z'
  'y,x,1/2-z'
  '-y,x-y,z'
  'x,x-y,1/2+z'
  'x-y,x,-z'
  'x-y,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1   0.34550  -0.01990   0.02590   1.00000
NaA   0.00000   0.00000   0.00000   0.33500
O-HA   0.00000   0.00000   0.00000   0.33500
P   0.33333   0.66667   0.71610   1.00000
O1   0.33333   0.66667   0.59670   1.00000
O2   0.46120   0.68100   0.75660   1.00000
Wat3   0.46000   0.21450   0.03920   1.00000
Wat4  -0.00660   0.52510   0.37550   1.00000
Wat5   0.10830   0.32200   0.18690   1.00000
Wat6   0.02090   0.18730   0.90330   1.00000
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
Na1 0.04936 0.03669 0.03668 0.01773 0.00886 0.00251
NaA 0.03035 0.03035 0.05824 0.01515 0.00000 0.00000
O-HA 0.03035 0.03035 0.05824 0.01515 0.00000 0.00000
P 0.01896 0.01896 0.01513 0.01010 0.00000 0.00000
O1 0.03921 0.03921 0.02277 0.01896 0.00000 0.00000
O2 0.02530 0.02782 0.02782 0.01515 -0.00251 -0.00126
Wat3 0.03164 0.03035 0.03668 0.01515 -0.00251 -0.00377
Wat4 0.03293 0.04179 0.02660 0.01644 -0.00126 -0.00251
Wat5 0.03669 0.03798 0.04051 0.01644 0.00760 0.00000
Wat6 0.05570 0.07472 0.10257 0.02659 -0.01771 -0.00502