data_global _chemical_name_mineral 'Hydroxylclinohumite' 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 0000668 _chemical_formula_sum 'Mg7.44 Fe1.14 Ti.42 Si4 O18 H1.14' _cell_length_a 4.745 _cell_length_b 10.283 _cell_length_c 13.699 _cell_angle_alpha 101.00 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 656.132 _exptl_crystal_density_diffrn 3.371 _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 Mg1c 0.50000 0.00000 0.50000 0.88000 Fe1c 0.50000 0.00000 0.50000 0.10000 Ti1c 0.50000 0.00000 0.50000 0.02000 Mg1n 0.49665 0.94603 0.27464 0.87000 Fe1n 0.49665 0.94603 0.27464 0.11000 Ti1n 0.49665 0.94603 0.27464 0.02000 Mg25 0.01510 0.13976 0.16975 0.87000 Fe25 0.01510 0.13976 0.16975 0.13000 Mg26 0.51051 0.25040 0.38777 0.87000 Fe26 0.51051 0.25040 0.38777 0.13000 Mg3 0.49488 0.88433 0.04094 0.67000 Fe3 0.49488 0.88433 0.04094 0.15000 Ti3 0.49488 0.88433 0.04094 0.18000 Si1 0.07266 0.06676 0.38979 1.00000 Si2 0.07556 0.17647 0.83515 1.00000 O1 0.73273 0.06454 0.38817 1.00000 O2 0.28065 0.42061 0.38784 1.00000 O3 0.22140 0.11282 0.29420 1.00000 O4 0.22022 0.15850 0.48640 1.00000 O5 0.23521 0.32327 0.16313 1.00000 O6 0.77724 0.96806 0.16339 1.00000 O7 0.72257 0.27891 0.26139 1.00000 O8 0.72554 0.22876 0.06896 1.00000 O9 0.25717 0.04469 0.05356 1.00000 H 0.06000 0.02200 0.02700 0.57000 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 Mg1c 0.00488 0.00743 0.00586 -0.00027 -0.00026 0.00165 Fe1c 0.00488 0.00743 0.00586 -0.00027 -0.00026 0.00165 Ti1c 0.00488 0.00743 0.00586 -0.00027 -0.00026 0.00165 Mg1n 0.00570 0.00723 0.00559 0.00032 0.00094 0.00000 Fe1n 0.00570 0.00723 0.00559 0.00032 0.00094 0.00000 Ti1n 0.00570 0.00723 0.00559 0.00032 0.00094 0.00000 Mg25 0.00708 0.00614 0.00641 -0.00015 -0.00010 0.00131 Fe25 0.00708 0.00614 0.00641 -0.00015 -0.00010 0.00131 Mg26 0.00705 0.00506 0.00614 -0.00032 -0.00058 0.00062 Fe26 0.00705 0.00506 0.00614 -0.00032 -0.00058 0.00062 Mg3 0.00720 0.01285 0.00705 0.00264 -0.00133 -0.00158 Fe3 0.00720 0.01285 0.00705 0.00264 -0.00133 -0.00158 Ti3 0.00720 0.01285 0.00705 0.00264 -0.00133 -0.00158 Si1 0.00360 0.00547 0.00586 -0.00027 -0.00016 0.00103 Si2 0.00445 0.00552 0.00504 0.00022 0.00010 0.00096 O1 0.00480 0.00764 0.00632 0.00032 0.00078 0.00110 O2 0.00650 0.00578 0.00623 0.00022 0.00052 0.00151 O3 0.00598 0.00671 0.00724 -0.00017 -0.00032 0.00220 O4 0.00550 0.00748 0.00605 0.00036 -0.00003 -0.00076 O5 0.00558 0.00707 0.00586 0.00019 0.00006 0.00151 O6 0.00613 0.00506 0.00669 0.00095 0.00052 0.00089 O7 0.00683 0.00769 0.00632 0.00010 -0.00126 0.00248 O8 0.00821 0.00712 0.00641 -0.00051 0.00165 -0.00014 O9 0.01281 0.01146 0.00797 0.00034 0.00375 0.00007