data_global
_chemical_name_mineral 'Archerite'
loop_
_publ_author_name
'Ono Y'
'Yamada N'
'Hikita T'
_journal_name_full 'Journal of the Physical Society of Japan'
_journal_volume 60 
_journal_year 1991
_journal_page_first 2673
_journal_page_last 2677
_publ_section_title
;
 Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4
 in the temperature range from 20 K to 250K
 Note: T = 20 K
;
_database_code_amcsd 0019080
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K.78 N.22 H.88 P O4'
_cell_length_a 7.4398
_cell_length_b 7.4398
_cell_length_c 7.0454
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 389.967
_exptl_crystal_density_diffrn      2.205
_symmetry_space_group_name_H-M 'I -4 2 d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-y,-x,3/4+z'
  '-y,1/2-x,1/4+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,1/2+y,1/4-z'
  '1/2-x,+y,3/4-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,x,3/4+z'
  '+y,1/2+x,1/4+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'x,1/2-y,1/4-z'
  '1/2+x,-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K   0.00000   0.00000   0.50000   0.78000
N-NH4   0.00000   0.00000   0.50000   0.22000
H-NH4   0.00000   0.00000   0.50000   0.88000
P   0.00000   0.00000   0.00000   1.00000
O   0.15300   0.08600   0.12700   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
K 0.00500 0.00500 0.01100 0.00000 0.00000 0.00000
N-NH4 0.00500 0.00500 0.01100 0.00000 0.00000 0.00000
H-NH4 0.00500 0.00500 0.01100 0.00000 0.00000 0.00000
P 0.00400 0.00400 0.02500 0.00000 0.00000 0.00000
O 0.00400 0.00400 0.02000 -0.00400 0.00200 0.00000