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: X-ray single crystal on sample IGC29
 Note: T = 100 K
;
_database_code_amcsd 0020878
_chemical_compound_source 'Hagendorf Sud pegmatite, Oberpfalz, Bavaria'
_chemical_formula_sum 'Fe4.17 Mn.77 Zn.06 P3 O17 H5.78'
_cell_length_a 13.995
_cell_length_b 16.884
_cell_length_c 5.1866
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1225.550
_exptl_crystal_density_diffrn      3.522
_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   0.01450
Fe2   0.06788   0.15615   0.00000   0.58500   0.02200
Mn2   0.06788   0.15615   0.00000   0.38500   0.02200
Zn2   0.06788   0.15615   0.00000   0.03000   0.02200
Fe3   0.32117   0.13887   0.23080   0.50000   0.00970
P1   0.14287   0.04337   0.50000   1.00000   0.01140
P2   0.48230   0.25000   0.00000   1.00000   0.01470
O1   0.04520   0.25000   0.25400   1.00000   0.02200
O2   0.08100   0.05760   0.26000   1.00000   0.01450
O-H3   0.31220   0.25000   0.37700   0.35000   0.02100
Wat3   0.31220   0.25000   0.37700   0.15000   0.02100
O4   0.31930   0.03950   0.00000   1.00000   0.02100
O-H5   0.21710   0.17560   0.00000   0.76000   0.02500
Wat5   0.21710   0.17560   0.00000   0.24000   0.02500
O-H6   0.42230   0.10280   0.50000   1.00000   0.01300
O7   0.42100   0.17570   0.00000   1.00000   0.01600
O8   0.22260   0.10640   0.50000   1.00000   0.01300