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 30 ; _database_code_amcsd 0002380 _chemical_formula_sum 'O23.98 F.02 Si7.76 Al.08 Ti.71 Fe1.55 Mg2.9 Ca.84 Na1.28 K1.29 H1.18' _cell_length_a 10.031 _cell_length_b 18.096 _cell_length_c 5.299 _cell_angle_alpha 90 _cell_angle_beta 104.72 _cell_angle_gamma 90 _cell_volume 930.310 _exptl_crystal_density_diffrn 3.248 _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 0.11020 0.08753 0.21918 1.00000 O2 0.11821 0.16972 0.72407 1.00000 O3 0.10568 0.00000 0.71243 0.40000 F3 0.10568 0.00000 0.71243 0.01000 O-H3 0.10568 0.00000 0.71243 0.59000 O4 0.36175 0.24737 0.79964 1.00000 O5 0.34354 0.12883 0.09260 1.00000 O6 0.34110 0.11792 0.59096 1.00000 O7 0.33099 0.00000 0.30392 1.00000 SiT1 0.27612 0.08507 0.29960 0.97000 AlT1 0.27612 0.08507 0.29960 0.01000 TiT1 0.27612 0.08507 0.29960 0.02000 SiT2 0.28496 0.17119 0.80447 0.97000 AlT2 0.28496 0.17119 0.80447 0.01000 TiT2 0.28496 0.17119 0.80447 0.02000 FeM1 0.00000 0.08597 0.50000 0.31000 TiM1 0.00000 0.08597 0.50000 0.11000 MgM1 0.00000 0.08597 0.50000 0.58000 FeM2 0.00000 0.18074 0.00000 0.31000 TiM2 0.00000 0.18074 0.00000 0.11000 MgM2 0.00000 0.18074 0.00000 0.58000 FeM3 0.00000 0.00000 0.00000 0.31000 TiM3 0.00000 0.00000 0.00000 0.11000 MgM3 0.00000 0.00000 0.00000 0.58000 CaM4 0.00000 0.27695 0.50000 0.42000 NaM4 0.00000 0.27695 0.50000 0.58000 NaA 0.00000 0.50000 0.00000 0.04000 KA 0.00000 0.50000 0.00000 0.43000 NaAM 0.03536 0.50000 0.07673 0.04000 KAM 0.03536 0.50000 0.07673 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 0.00572 0.00995 0.01277 -0.00178 0.00554 0.00000 O2 0.00811 0.01327 0.00546 0.00089 0.00000 -0.00141 O3 0.01144 0.01825 0.00319 0.00000 -0.00050 0.00000 F3 0.01144 0.01825 0.00319 0.00000 -0.00050 0.00000 O-H3 0.01144 0.01825 0.00319 0.00000 -0.00050 0.00000 O4 0.01717 0.01327 0.01450 -0.00445 0.00756 -0.00141 O5 0.00954 0.01327 0.01357 0.00089 0.00428 0.00423 O6 0.01192 0.01659 0.00878 0.00000 0.00025 -0.00517 O7 0.00763 0.00664 0.01384 0.00000 0.00176 0.00000 SiT1 0.00620 0.00664 0.00772 -0.00089 0.00252 0.00000 AlT1 0.00620 0.00664 0.00772 -0.00089 0.00252 0.00000 TiT1 0.00620 0.00664 0.00772 -0.00089 0.00252 0.00000 SiT2 0.00763 0.00664 0.00639 -0.00089 0.00126 0.00000 AlT2 0.00763 0.00664 0.00639 -0.00089 0.00126 0.00000 TiT2 0.00763 0.00664 0.00639 -0.00089 0.00126 0.00000 FeM1 0.00763 0.01825 0.00625 0.00000 0.00428 0.00000 TiM1 0.00763 0.01825 0.00625 0.00000 0.00428 0.00000 MgM1 0.00763 0.01825 0.00625 0.00000 0.00428 0.00000 FeM2 0.00811 0.00829 0.00971 0.00000 0.00176 0.00000 TiM2 0.00811 0.00829 0.00971 0.00000 0.00176 0.00000 MgM2 0.00811 0.00829 0.00971 0.00000 0.00176 0.00000 FeM3 0.01001 0.00498 0.00452 0.00000 0.00076 0.00000 TiM3 0.01001 0.00498 0.00452 0.00000 0.00076 0.00000 MgM3 0.01001 0.00498 0.00452 0.00000 0.00076 0.00000 CaM4 0.01812 0.00995 0.01823 0.00000 0.01108 0.00000 NaM4 0.01812 0.00995 0.01823 0.00000 0.01108 0.00000 NaA 0.00477 0.02488 0.00878 0.00000 -0.00202 0.00000 KA 0.00477 0.02488 0.00878 0.00000 -0.00202 0.00000 NaAM 0.01955 0.01659 0.01823 0.00000 0.01335 0.00000 KAM 0.01955 0.01659 0.01823 0.00000 0.01335 0.00000