data_global _chemical_name_mineral 'Richterite' loop_ _publ_author_name 'Oberti R' 'Ungaretti L' 'Cannillo E' 'Hawthorne F C' _journal_name_full 'European Journal of Mineralogy' _journal_volume 4 _journal_year 1992 _journal_page_first 425 _journal_page_last 439 _publ_section_title ; The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(12) Potassium-fluor-richterite Note: z-coordinate of O2 corrected ; _database_code_amcsd 0006446 _chemical_formula_sum 'O24 K.969 Ti.388 Fe.323 Mg4.641 Mn.005 Ca1.053 Na.919 Si7.565 Al.077 H2' _cell_length_a 10.028 _cell_length_b 18.039 _cell_length_c 5.289 _cell_angle_alpha 90 _cell_angle_beta 105.04 _cell_angle_gamma 90 _cell_volume 923.980 _exptl_crystal_density_diffrn 3.060 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 O1 0.11030 0.08530 0.22030 1.00000 0.00646 O2 0.11690 0.16950 0.72580 1.00000 0.00836 O-H3 0.10210 0.00000 0.71520 2.00000 0.00899 O4 0.36110 0.24850 0.79900 1.00000 0.01381 O5 0.34410 0.13020 0.10110 1.00000 0.01229 O6 0.34060 0.11750 0.59580 1.00000 0.01216 O7 0.33350 0.00000 0.30700 1.00000 0.01001 KA 0.00000 0.50000 0.00000 0.32300 0.03052 KAm 0.02690 0.50000 0.05980 0.32300 0.03166 TiM1 0.00000 0.08850 0.50000 0.00600 0.00773 FeM1 0.00000 0.08850 0.50000 0.06460 0.00773 MgM1 0.00000 0.08850 0.50000 0.92830 0.00773 MnM1 0.00000 0.08850 0.50000 0.00100 0.00773 TiM2 0.00000 0.17890 0.00000 0.00600 0.00785 FeM2 0.00000 0.17890 0.00000 0.06460 0.00785 MgM2 0.00000 0.17890 0.00000 0.92830 0.00785 MnM2 0.00000 0.17890 0.00000 0.00100 0.00785 TiM3 0.00000 0.00000 0.00000 0.00600 0.00621 FeM3 0.00000 0.00000 0.00000 0.06460 0.00621 MgM3 0.00000 0.00000 0.00000 0.92830 0.00621 MnM3 0.00000 0.00000 0.00000 0.00100 0.00621 CaM4 0.00000 0.27810 0.50000 0.52650 0.01203 NaM4 0.00000 0.27810 0.50000 0.45950 0.01203 SiT1 0.27590 0.08480 0.30380 0.94560 0.00583 AlT1 0.27590 0.08480 0.30380 0.00960 0.00583 TiT1 0.27590 0.08480 0.30380 0.04470 0.00583 SiT2 0.28450 0.17180 0.80930 0.94560 0.00608 AlT2 0.28450 0.17180 0.80930 0.00960 0.00608 TiT2 0.28450 0.17180 0.80930 0.04470 0.00608