data_global
_chemical_name_mineral 'Chondrodite'
loop_
_publ_author_name
'Berry A J'
'James M'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 66 
_journal_year 2002
_journal_page_first 441
_journal_page_last 449
_publ_section_title
;
 Refinement of hydrogen positions in natural chondrodite by powder neutron
 diffraction: implications for the stability of humite minerals
;
_database_code_amcsd 0019536
_chemical_compound_source 'Orange county, New York, USA'
_chemical_formula_sum 'Mg4.93 Fe.07 Si2 O8.46 F1.54 H.46'
_cell_length_a 4.7204
_cell_length_b 10.2360
_cell_length_c 7.8252
_cell_angle_alpha 109.11
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 357.262
_exptl_crystal_density_diffrn      3.207
_symmetry_space_group_name_H-M 'P 21/b 1 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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   0.50000   0.00000   0.50000   0.93000   0.00887
Fe1   0.50000   0.00000   0.50000   0.07000   0.00887
Mg2   0.01250   0.17110   0.30520   1.00000   0.00887
Mg3   0.49790   0.88450   0.07810   1.00000   0.00760
Si   0.07840   0.14590   0.70270   1.00000   0.01267
O1   0.78050  -0.00010   0.29260   1.00000   0.01393
O2   0.72540   0.24170   0.12630   1.00000   0.00887
O3   0.22860   0.16920   0.52630   1.00000   0.01520
O4   0.26570   0.85270   0.29200   1.00000   0.01013
F5   0.27260   0.05610   0.10070   0.77000   0.01140
O5   0.27260   0.05610   0.10070   0.23000   0.01140
H1   0.08200   0.02300   0.02800   0.23000   0.03800