data_global
_chemical_name_mineral 'Phosphophyllite'
loop_
_publ_author_name
'Kleber W'
'Liebau F'
'Piatkowiak E'
_journal_name_full 'Acta Crystallographica'
_journal_volume 14 
_journal_year 1961
_journal_page_first 795
_journal_page_last 795
_publ_section_title
;
 Zur struktur des phosphophyllits, Zn2Fe[PO4]2*4H2O
;
_database_code_amcsd 0009263
_chemical_formula_sum 'Fe Zn2 P2 O12 H8'
_cell_length_a 10.23
_cell_length_b 5.08
_cell_length_c 10.49
_cell_angle_alpha 90
_cell_angle_beta 120.25
_cell_angle_gamma 90
_cell_volume 470.919
_exptl_crystal_density_diffrn      3.164
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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
Fe   0.00000   0.00000   0.00000
Zn   0.50000   0.78000   0.14800
P   0.31700   0.21000   0.00000
O1   0.15900   0.34000   0.46700
O2   0.34400   0.50000   0.01900
O3   0.33300   0.46000   0.39000
O4   0.41500   0.11000   0.15500
Wat1   0.00200   0.33000   0.12900
Wat2   0.18300   0.17000   0.18800