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