data_global
_chemical_name_mineral 'Rockbridgeite'
loop_
_publ_author_name
'Moore P B'
_journal_name_full 'American Mineralogist'
_journal_volume 55
_journal_year 1970
_journal_page_first 135
_journal_page_last 169
_publ_section_title
;
 Crystal chemistry of the basic iron phosphates
;
_database_code_amcsd 198
_chemical_formula_sum 'Fe5 P3 O17 H5'
_cell_length_a 13.783
_cell_length_b 16.805
_cell_length_c 5.172
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 1197.956
_exptl_crystal_density_diffrn  3.599
_symmetry_space_group_name_H-M 'B b m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,1/2+y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '-x,-y,z'
  '1/2-x,-y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1   0.0  0.0  0.0  1.0  0.00127
Fe2   0.0687  0.1574  0.0  1.0  0.02077
Fe3   0.3214  0.1385  0.2385  0.5  0.00127
P1   0.142  0.0432  0.5  1.0  0.00101
P2   0.4806  0.25  0.0  1.0  0.00963
O1   0.0477  0.25  0.2508  1.0  0.03014
O2   0.0829  0.0605  0.2615  1.0  0.00709
O-H3   0.3132  0.25  0.3876  0.5  0.01026
O4   0.3126  0.0357  0.0  1.0  0.02356
O-H5   0.2175  0.172  0.0  1.0  0.0095
O-H6   0.4204  0.1071  0.5  1.0  0.00393
O7   0.4171  0.1763  0.0  1.0  0.01153
O8   0.2276  0.1044  0.5  1.0  0.00127