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 = 3.87 GPa, Neutron
;
_database_code_amcsd 0002865
_chemical_formula_sum 'Mg5 Si2 O8.9 F1.1 D.9'
_cell_length_a 4.6939
_cell_length_b 10.1458
_cell_length_c 7.7722
_cell_angle_alpha 108.98
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 350.015
_exptl_crystal_density_diffrn      3.253
_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   1.00000   0.00130
MgM2   0.01100   0.17460   0.30500   1.00000   0.00130
MgM3   0.49300   0.88580   0.07860   1.00000   0.00130
Si   0.07690   0.14070   0.70400   1.00000   0.00300
O1   0.77100   0.00220   0.29500   1.00000   0.00520
O2   0.73100   0.24130   0.12400   1.00000   0.00520
O3   0.22700   0.16850   0.52780   1.00000   0.00520
O4   0.26760   0.85650   0.29700   1.00000   0.00520
O5   0.26200   0.05900   0.10300   0.45000   0.00600
F5   0.26200   0.05900   0.10300   0.55000   0.00600
D   0.09900   0.02100   0.02400   0.45000   0.03100