data_global
_chemical_name_mineral 'Pseudolaueite'
loop_
_publ_author_name
'Baur W H'
_journal_name_full 'American Mineralogist'
_journal_volume 54
_journal_year 1969
_journal_page_first 1312
_journal_page_last 1323
_publ_section_title
;
 A comparison of the crystal structures of pseudolaueite and laueite
;
_database_code_amcsd 193
_chemical_formula_sum 'Mn Fe2 P2 O18 H18'
_cell_length_a 9.647
_cell_length_b 7.428
_cell_length_c 10.194
_cell_angle_alpha 90.0
_cell_angle_beta 104.63
_cell_angle_gamma 90.0
_cell_volume 706.797
_exptl_crystal_density_diffrn  2.512
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+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  0.01646
Fe   0.2466  0.1294  0.5015  0.0076
P   0.5117  0.3753  0.6823  0.01013
O1   0.1607  0.1001  0.6585  0.01267
O2   0.4368  0.2138  0.6033  0.01267
O3   0.0322  0.1554  0.8357  0.0152
O4   0.0734  0.0495  0.3592  0.0152
O-H5   0.6774  0.1205  0.4805  0.01267
Wat6   0.34  0.1676  0.3321  0.02786
Wat7   0.2461  0.9636  0.0818  0.02786
Wat8   0.0169  0.233  0.1276  0.02153
Wat9   0.3702  0.0573  0.8817  0.0228