data_global
_chemical_name_mineral 'Chondrodite'
loop_
_publ_author_name
'Friedrich A'
'Lager G A'
'Ulmer P'
'Kunz M'
'Marshall W G'
_journal_name_full 'American Mineralogist'
_journal_volume 87 
_journal_year 2002
_journal_page_first 931
_journal_page_last 939
_publ_section_title
;
 High-pressure single-crystal X-ray and powder neutron study of
 F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
 Sample: P = 4.952 GPa, X-ray
;
_database_code_amcsd 0002861
_chemical_formula_sum 'Mg4.9 Fe.1 Si2 O8.84 (F1.16 H.84)'
_cell_length_a 4.6881
_cell_length_b 10.1222
_cell_length_c 7.7660
_cell_angle_alpha 108.989
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 348.472
_exptl_crystal_density_diffrn      3.290
_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
MgM1   0.50000   0.00000   0.50000   0.90000   0.01000
FeM1   0.50000   0.00000   0.50000   0.10000   0.01000
MgM2   0.00970   0.17460   0.30540   1.00000   0.00800
MgM3   0.49170   0.88710   0.07910   1.00000   0.00900
Si   0.07600   0.14410   0.70450   1.00000   0.00800
O1   0.78000   0.00000   0.29360   1.00000   0.01400
O2   0.72900   0.24100   0.12500   1.00000   0.01100
O3   0.22500   0.16700   0.52860   1.00000   0.01400
O4   0.26780   0.85400   0.29300   1.00000   0.01300
O-H5   0.25810   0.05700   0.09850   0.42000   0.01400
F5   0.25810   0.05700   0.09850   0.58000   0.01400