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 = 1.26 GPa, Neutron
;
_database_code_amcsd 0002863
_chemical_formula_sum 'Mg5 Si2 O8.9 F1.1 D.9'
_cell_length_a 4.7179
_cell_length_b 10.2247
_cell_length_c 7.8290
_cell_angle_alpha 109.01
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 357.067
_exptl_crystal_density_diffrn      3.188
_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   0.00250
MgM2   0.01300   0.17480   0.30600   1.00000   0.00250
MgM3   0.49500   0.88700   0.07960   1.00000   0.00250
Si   0.07720   0.14170   0.70300   1.00000   0.00600
O1   0.77500   0.00170   0.29700   1.00000   0.00490
O2   0.73200   0.24190   0.12400   1.00000   0.00490
O3   0.22500   0.16810   0.52800   1.00000   0.00490
O4   0.26700   0.85700   0.29600   1.00000   0.00490
O5   0.26300   0.05800   0.10300   0.45000   0.00800
F5   0.26300   0.05800   0.10300   0.55000   0.00800
D   0.10800   0.02200   0.01900   0.45000   0.04000

