data_global _chemical_name_mineral 'Richterite' loop_ _publ_author_name 'Oberti R' 'Vannucci R' 'Zanetti A' 'Tiepolo M' 'Brumm R C' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 407 _journal_page_last 419 _publ_section_title ; A Crystal Chemical re-evaluation of amphibole/melt and amphibole/clinopyroxene DTi values in petrogenetic studies SAMPLE 26 ; _database_code_amcsd 0002376 _chemical_formula_sum 'O23.96 F.04 Si7.52 Al.24 Ti.89 Fe.6 Mg3.75 Ca.96 Na1.16 K1.29 H.98' _cell_length_a 9.987 _cell_length_b 18.065 _cell_length_c 5.298 _cell_angle_alpha 90 _cell_angle_beta 104.82 _cell_angle_gamma 90 _cell_volume 924.043 _exptl_crystal_density_diffrn 3.183 _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 O1 0.11035 0.08668 0.22118 1.00000 O2 0.11724 0.16915 0.72312 1.00000 O3 0.10549 0.00000 0.71161 0.49000 F3 0.10549 0.00000 0.71161 0.02000 O-H3 0.10549 0.00000 0.71161 0.49000 O4 0.36039 0.24850 0.79902 1.00000 O5 0.34415 0.12967 0.09448 1.00000 O6 0.34209 0.11847 0.59219 1.00000 O7 0.33360 0.00000 0.30581 1.00000 SiT1 0.27720 0.08511 0.30103 0.94000 AlT1 0.27720 0.08511 0.30103 0.03000 TiT1 0.27720 0.08511 0.30103 0.03000 SiT2 0.28533 0.17156 0.80605 0.94000 AlT2 0.28533 0.17156 0.80605 0.03000 TiT2 0.28533 0.17156 0.80605 0.03000 FeM1 0.00000 0.08334 0.50000 0.12000 TiM1 0.00000 0.08334 0.50000 0.13000 MgM1 0.00000 0.08334 0.50000 0.75000 FeM2 0.00000 0.17970 0.00000 0.12000 TiM2 0.00000 0.17970 0.00000 0.13000 MgM2 0.00000 0.17970 0.00000 0.75000 FeM3 0.00000 0.00000 0.00000 0.12000 TiM3 0.00000 0.00000 0.00000 0.13000 MgM3 0.00000 0.00000 0.00000 0.75000 CaM4 0.00000 0.27680 0.50000 0.48000 NaM4 0.00000 0.27680 0.50000 0.52000 NaA 0.00000 0.50000 0.00000 0.04000 KA 0.00000 0.50000 0.00000 0.43000 NaAM 0.03563 0.50000 0.07448 0.04000 KAM 0.03563 0.50000 0.07448 0.43000 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 O1 0.00708 0.00827 0.00731 0.00088 0.00175 0.00047 O2 0.00661 0.01157 0.00917 0.00000 0.00276 -0.00141 O3 0.00708 0.01819 0.00811 0.00000 0.00276 0.00000 F3 0.00708 0.01819 0.00811 0.00000 0.00276 0.00000 O-H3 0.00708 0.01819 0.00811 0.00000 0.00276 0.00000 O4 0.01511 0.01323 0.01169 -0.00619 0.00125 -0.00094 O5 0.00992 0.01488 0.01356 0.00088 0.00426 0.00469 O6 0.00897 0.01653 0.00851 0.00088 0.00175 -0.00422 O7 0.00992 0.00827 0.01794 0.00000 0.00351 0.00000 SiT1 0.00519 0.00496 0.00638 -0.00088 0.00150 -0.00047 AlT1 0.00519 0.00496 0.00638 -0.00088 0.00150 -0.00047 TiT1 0.00519 0.00496 0.00638 -0.00088 0.00150 -0.00047 SiT2 0.00567 0.00661 0.00651 -0.00177 0.00100 0.00047 AlT2 0.00567 0.00661 0.00651 -0.00177 0.00100 0.00047 TiT2 0.00567 0.00661 0.00651 -0.00177 0.00100 0.00047 FeM1 0.00756 0.02315 0.00598 0.00000 0.00301 0.00000 TiM1 0.00756 0.02315 0.00598 0.00000 0.00301 0.00000 MgM1 0.00756 0.02315 0.00598 0.00000 0.00301 0.00000 FeM2 0.00803 0.00827 0.00944 0.00000 0.00251 0.00000 TiM2 0.00803 0.00827 0.00944 0.00000 0.00251 0.00000 MgM2 0.00803 0.00827 0.00944 0.00000 0.00251 0.00000 FeM3 0.00850 0.00661 0.00611 0.00000 0.00175 0.00000 TiM3 0.00850 0.00661 0.00611 0.00000 0.00175 0.00000 MgM3 0.00850 0.00661 0.00611 0.00000 0.00175 0.00000 CaM4 0.01606 0.00992 0.01528 0.00000 0.01027 0.00000 NaM4 0.01606 0.00992 0.01528 0.00000 0.01027 0.00000 NaA 0.03164 0.02149 0.03960 0.00000 0.03106 0.00000 KA 0.03164 0.02149 0.03960 0.00000 0.03106 0.00000 NaAM 0.02833 0.01984 0.02924 0.00000 0.02029 0.00000 KAM 0.02833 0.01984 0.02924 0.00000 0.02029 0.00000