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 34 ; _database_code_amcsd 0002384 _chemical_formula_sum 'O23.96 F.04 Si7.52 Al.24 Ti1.14 Fe.7 Mg3.4 Ca.68 Na2.1 K.64 H.88' _cell_length_a 9.908 _cell_length_b 18.062 _cell_length_c 5.307 _cell_angle_alpha 90 _cell_angle_beta 104.36 _cell_angle_gamma 90 _cell_volume 920.059 _exptl_crystal_density_diffrn 3.175 _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 0.11157 0.08668 0.21967 1.00000 O2 0.11714 0.16859 0.72307 1.00000 O3 0.10562 0.00000 0.71098 0.54000 F3 0.10562 0.00000 0.71098 0.02000 O-H3 0.10562 0.00000 0.71098 0.44000 O4 0.36149 0.24933 0.79818 1.00000 O5 0.34745 0.12944 0.09006 1.00000 O6 0.34335 0.11844 0.58772 1.00000 O7 0.33649 0.00000 0.29985 1.00000 SiT1 0.27977 0.08507 0.29738 0.94000 AlT1 0.27977 0.08507 0.29738 0.03000 TiT1 0.27977 0.08507 0.29738 0.03000 SiT2 0.28709 0.17117 0.80336 0.94000 AlT2 0.28709 0.17117 0.80336 0.03000 TiT2 0.28709 0.17117 0.80336 0.03000 FeM1 0.00000 0.08357 0.50000 0.14000 TiM1 0.00000 0.08357 0.50000 0.18000 MgM1 0.00000 0.08357 0.50000 0.68000 FeM2 0.00000 0.17997 0.00000 0.14000 TiM2 0.00000 0.17997 0.00000 0.18000 MgM2 0.00000 0.17997 0.00000 0.68000 FeM3 0.00000 0.00000 0.00000 0.14000 TiM3 0.00000 0.00000 0.00000 0.18000 MgM3 0.00000 0.00000 0.00000 0.68000 CaM4 0.00000 0.27598 0.50000 0.34000 NaM4 0.00000 0.27598 0.50000 0.66000 NaA 0.00000 0.50000 0.00000 0.26000 KA 0.00000 0.50000 0.00000 0.22000 NaAM 0.04240 0.50000 0.09737 0.26000 KAM 0.04240 0.50000 0.09737 0.21000 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 0.00607 0.01322 0.01178 -0.00176 0.00350 -0.00376 O2 0.00887 0.00661 0.00710 -0.00088 0.00225 -0.00141 O3 0.01167 0.01487 0.00629 0.00000 0.00250 0.00000 F3 0.01167 0.01487 0.00629 0.00000 0.00250 0.00000 O-H3 0.01167 0.01487 0.00629 0.00000 0.00250 0.00000 O4 0.01540 0.01487 0.01500 -0.00703 0.00475 -0.00282 O5 0.01400 0.01653 0.01607 0.00176 0.00475 0.00894 O6 0.00980 0.01818 0.01219 0.00088 0.00475 -0.00565 O7 0.00653 0.00826 0.02089 0.00000 0.00375 0.00000 SiT1 0.00607 0.00661 0.00656 0.00000 0.00125 0.00047 AlT1 0.00607 0.00661 0.00656 0.00000 0.00125 0.00047 TiT1 0.00607 0.00661 0.00656 0.00000 0.00125 0.00047 SiT2 0.00747 0.00826 0.00710 -0.00176 0.00075 0.00188 AlT2 0.00747 0.00826 0.00710 -0.00176 0.00075 0.00188 TiT2 0.00747 0.00826 0.00710 -0.00176 0.00075 0.00188 FeM1 0.01073 0.02149 0.00830 0.00000 0.00425 0.00000 TiM1 0.01073 0.02149 0.00830 0.00000 0.00425 0.00000 MgM1 0.01073 0.02149 0.00830 0.00000 0.00425 0.00000 FeM2 0.00467 0.00826 0.00830 0.00000 0.00250 0.00000 TiM2 0.00467 0.00826 0.00830 0.00000 0.00250 0.00000 MgM2 0.00467 0.00826 0.00830 0.00000 0.00250 0.00000 FeM3 0.00933 0.00661 0.00549 0.00000 0.00000 0.00000 TiM3 0.00933 0.00661 0.00549 0.00000 0.00000 0.00000 MgM3 0.00933 0.00661 0.00549 0.00000 0.00000 0.00000 CaM4 0.01867 0.01157 0.01955 0.00000 0.01375 0.00000 NaM4 0.01867 0.01157 0.01955 0.00000 0.01375 0.00000 NaA 0.06208 0.04958 0.03776 0.00000 0.04450 0.00000 KA 0.06208 0.04958 0.03776 0.00000 0.04450 0.00000 NaAM 0.04247 0.02149 0.02450 0.00000 0.02150 0.00000 KAM 0.04247 0.02149 0.02450 0.00000 0.02150 0.00000