data_global
_chemical_name_mineral 'Laueite'
loop_
_publ_author_name
'Moore P B'
_journal_name_full 'American Mineralogist'
_journal_volume 50
_journal_year 1965
_journal_page_first 1884
_journal_page_last 1892
_publ_section_title
;
 The crystal structure of laueite, MnFe2(OH)2(PO4)2(H2O)6.2H2O
;
_database_code_amcsd 140
_chemical_formula_sum 'Mn Fe2 P2 O18 H4'
_cell_length_a 5.28
_cell_length_b 10.66
_cell_length_c 7.14
_cell_angle_alpha 107.92
_cell_angle_beta 110.98
_cell_angle_gamma 71.12
_cell_volume 346.573
_exptl_crystal_density_diffrn  2.494
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn   0.0  0.0  0.0  0.02216
Fe1   0.0  0.5  0.0  0.00899
Fe2   0.0  0.5  0.5  0.00861
P   0.346  0.67  0.9279  0.00988
O1   0.2281  0.1121  0.962  0.02508
O2   0.2426  0.0046  0.3218  0.038
O3   0.1552  0.5009  0.2952  0.01646
O4   0.1666  0.6539  0.041  0.0114
Wat5   0.2618  0.8016  0.5076  0.0323
O6   0.2717  0.8188  0.9057  0.01697
O7   0.3444  0.3673  0.9501  0.01292
O8   0.2976  0.58  0.7122  0.01254
O9   0.2433  0.3072  0.5507  0.01697