data_global
_chemical_name_mineral 'Humite'
loop_
_publ_author_name
'Ribbe P H'
'Gibbs G V'
_journal_name_full 'American Mineralogist'
_journal_volume 56 
_journal_year 1971
_journal_page_first 1155
_journal_page_last 1173
_publ_section_title
;
 Crystal structures of the humite minerals: III. Mg/Fe ordering in humite and its
 relation to other ferromagnesian silicates
;
_database_code_amcsd 0000250
_chemical_formula_sum '(Mg6.601 Fe.399) Si3 O13 (F H)'
_cell_length_a 4.7408
_cell_length_b 10.2580
_cell_length_c 20.8526
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1014.085
_exptl_crystal_density_diffrn      3.242
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-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_occupancy
_atom_site_U_iso_or_equiv
Mg1   0.00170   0.37730   0.17670   0.94300   0.00633
Fe1   0.00170   0.37730   0.17670   0.05700   0.00633
Mg2   0.51080   0.15400   0.25000   0.94300   0.00633
Fe2   0.51080   0.15400   0.25000   0.05700   0.00633
Mg3   0.00870   0.09760   0.10920   0.94300   0.00633
Fe3   0.00870   0.09760   0.10920   0.05700   0.00633
Mg4   0.49250   0.86650   0.02780   0.94300   0.00633
Fe4   0.49250   0.86650   0.02780   0.05700   0.00633
Si1   0.07520   0.96910   0.25000   1.00000   0.00342
Si2   0.57650   0.28190   0.10590   1.00000   0.00190
O11   0.73200   0.96790   0.25000   1.00000   0.00722
O12   0.28160   0.32330   0.25000   1.00000   0.00684
O13   0.21980   0.03820   0.18820   1.00000   0.00595
O21   0.23680   0.28270   0.10480   1.00000   0.00418
O22   0.78050   0.92640   0.10460   1.00000   0.00659
O23   0.72250   0.21410   0.16860   1.00000   0.00621
O24   0.72610   0.20870   0.04520   1.00000   0.00443
F   0.26210   0.03280   0.03570   0.50000   0.00747
O-H   0.26210   0.03280   0.03570   0.50000   0.00747