data_global
_chemical_name_mineral 'Chondrodite'
loop_
_publ_author_name
'Fujino K'
'Takeuchi Y'
_journal_name_full 'American Mineralogist'
_journal_volume 63 
_journal_year 1978
_journal_page_first 535
_journal_page_last 543
_publ_section_title
;
 Crystal chemistry of titanian chondrodite and titanian clinohumite of
 high-pressure origin
;
_database_code_amcsd 0000667
_chemical_formula_sum 'Mg3.97 Fe.59 Ti.44 Si2 O10 H2'
_cell_length_a 4.727
_cell_length_b 10.318
_cell_length_c 7.9053
_cell_angle_alpha 109.333
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 363.825
_exptl_crystal_density_diffrn      3.365
_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
Mg1   0.50000   0.00000   0.50000   0.91000
Fe1   0.50000   0.00000   0.50000   0.09000
Mg2   0.01538   0.17316   0.30648   0.87000
Fe2   0.01538   0.17316   0.30648   0.12000
Ti2   0.01538   0.17316   0.30648   0.01000
Mg3   0.49525   0.89343   0.07466   0.66000
Fe3   0.49525   0.89343   0.07466   0.13000
Ti3   0.49525   0.89343   0.07466   0.21000
Si   0.07499   0.14380   0.70431   1.00000
O1   0.77728   0.00071   0.29554   1.00000
O2   0.72461   0.24271   0.12284   1.00000
O3   0.22378   0.16998   0.53152   1.00000
O4   0.26619   0.85625   0.29560   1.00000
O-H   0.25658   0.05534   0.09607   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mg1 0.00523 0.00581 0.00488 -0.00009 0.00079 0.00015
Fe1 0.00523 0.00581 0.00488 -0.00009 0.00079 0.00015
Mg2 0.00705 0.00571 0.00671 0.00035 -0.00009 0.00191
Fe2 0.00705 0.00571 0.00671 0.00035 -0.00009 0.00191
Ti2 0.00705 0.00571 0.00671 0.00035 -0.00009 0.00191
Mg3 0.00679 0.01157 0.00685 0.00189 -0.00163 -0.00096
Fe3 0.00679 0.01157 0.00685 0.00189 -0.00163 -0.00096
Ti3 0.00679 0.01157 0.00685 0.00189 -0.00163 -0.00096
Si 0.00397 0.00523 0.00505 -0.00033 -0.00029 0.00121
O1 0.00558 0.00495 0.00696 -0.00072 0.00066 0.00173
O2 0.00642 0.00600 0.00688 0.00023 0.00014 -0.00048
O3 0.00571 0.00759 0.00564 0.00054 0.00105 0.00280
O4 0.00384 0.00749 0.00722 -0.00035 0.00011 0.00272
O-H 0.01122 0.01008 0.00891 0.00000 0.00282 0.00033