data_global
_chemical_name_mineral 'Ferrorockbridgeite'
loop_
_publ_author_name
'Grey I E'
'Kampf A R'
'Keck E'
'Cashion J D'
'MacRae C M'
'Gozukara Y'
'Peterson V K'
'Shanks F L'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 31 
_journal_year 2019
_journal_page_first 389
_journal_page_last 397
_publ_section_title
;
 The rockbridgeite group approved and a new member,
 ferrorockbridgeite,  (Fe2+,Mn2+)2(Fe3+)3(PO4)3(OH)4(H2O),
 described from the Hagendorf Sud pegmatite, Oberpfalz, Bavaria
 Note: neutron powder on sample IGC90
;
_database_code_amcsd 0020877
_chemical_compound_source 'Hagendorf Sud pegmatite, Oberpfalz, Bavaria'
_chemical_formula_sum 'Fe4.44 Mn.52 Zn.04 P3 O17 H5.88'
_cell_length_a 14.0016
_cell_length_b 16.8593
_cell_length_c 5.1831
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1223.508
_exptl_crystal_density_diffrn      3.529
_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   0.00000   0.00000   0.00000   1.00000   0.01151
Fe2   0.06749   0.15565   0.00000   0.72000   0.01529
Mn2   0.06749   0.15565   0.00000   0.26000   0.01529
Zn2   0.06749   0.15565   0.00000   0.02000   0.01529
Fe3   0.32098   0.13903   0.23000   0.50000   0.00990
P1   0.14320   0.04404   0.50000   1.00000   0.01064
P2   0.48179   0.25000   0.00000   1.00000   0.01330
O1   0.04516   0.25000   0.25620   1.00000   0.01860
O2   0.08084   0.05792   0.25830   1.00000   0.01450
O3   0.31200   0.25000   0.37520   0.50000   0.01140
O4   0.31690   0.03952   0.00000   1.00000   0.02260
O5   0.21581   0.17582   0.00000   1.00000   0.02160
O6   0.42265   0.10466   0.50000   1.00000   0.01370
O7   0.41995   0.17454   0.00000   1.00000   0.01670
O8   0.22185   0.10815   0.50000   1.00000   0.01130
H3a   0.25400   0.75000   0.00000   0.76000   0.02000
H3b   0.19800   0.70500   0.00000   0.32000   0.02000
H5a   0.23300   0.15700   0.21700   0.50000   0.02000
H5b   0.23300   0.23100   0.00000   0.24000   0.02000
H6   0.09800   0.62600   0.15800   0.50000   0.02000