data_global
_chemical_name_mineral 'Hureaulite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 302
_journal_page_last 307
_publ_section_title
;
 Hureaulite, Mn5(H2O)4[PO3(OH)]2[PO4]2: Its atomic arrangement
;
_database_code_amcsd 314
_chemical_formula_sum 'Mn5 P4 O20 H6'
_cell_length_a 17.594
_cell_length_b 9.086
_cell_length_c 9.404
_cell_angle_alpha 90.0
_cell_angle_beta 96.67
_cell_angle_gamma 90.0
_cell_volume 1493.14
_exptl_crystal_density_diffrn  3.223
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn1   0.0  0.10238  0.75  0.00874
Mn2   0.31696  0.08821  -0.3147  0.00849
Mn3   0.17453  -0.02833  -0.13408  0.00937
P1   0.41723  0.32038  -0.09009  0.00836
P2   0.16098  0.26066  -0.37176  0.0076
O1   0.3455  0.2278  -0.1338  0.01431
O-H2   0.4884  0.215  -0.0796  0.0157
O3   0.4231  0.4331  -0.2072  0.01406
O4   0.4156  0.3915  0.0558  0.0133
O5   0.1638  0.2357  -0.5331  0.01267
O6   0.076  0.2655  -0.3407  0.01216
O7   0.2019  0.404  -0.3257  0.01279
O8   0.2024  0.1326  -0.2885  0.01178
O-H9   0.4213  -0.0081  -0.3463  0.02153
O-H10   0.2599  0.0796  0.031  0.01381