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 = 0.0001 GPa, X-ray
;
_database_code_amcsd 0002860
_chemical_formula_sum 'Mg4.9 Fe.1 Si2 O8.84 (F1.16 H.84)'
_cell_length_a 4.7328
_cell_length_b 10.2765
_cell_length_c 7.8760
_cell_angle_alpha 109.081
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 362.016
_exptl_crystal_density_diffrn      3.167
_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   0.00900
FeM1   0.50000   0.00000   0.50000   0.10000   0.00900
MgM2   0.01150   0.17310   0.30760   1.00000   0.00800
MgM3   0.49220   0.88680   0.07830   1.00000   0.01000
Si   0.07730   0.14320   0.70510   1.00000   0.00850
O1   0.78200  -0.00100   0.29500   1.00000   0.01300
O2   0.72700   0.24300   0.12500   1.00000   0.01100
O3   0.22300   0.16500   0.53200   1.00000   0.01300
O4   0.26600   0.85200   0.29600   1.00000   0.01300
O-H5   0.26100   0.05600   0.10000   0.42000   0.01400
F5   0.26100   0.05600   0.10000   0.58000   0.01400