data_global _chemical_name_mineral 'Fluoro-alumino-magnesiotaramite' loop_ _publ_author_name 'Oberti R' 'Boiocchi M' 'Smith D C' 'Medenbach O' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 1428 _journal_page_last 1435 _publ_section_title ; Aluminotaramite, alumino-magnesiotaramite, and fluoro-alumino-magnesiotaramite: Mineral data and crystal chemistry Sample: DJ102-23 ; _database_code_amcsd 0004421 _chemical_compound_source 'Jianchang eclogite, Su-Lu coesite-eclogite province, China' _chemical_formula_sum 'Na1.76 Ca1.22 Fe1.81 Mg2.13 Al3.04 Ti.02 Mn.02 Si6 O22.96 F1.04 H.96' _cell_length_a 9.7414 _cell_length_b 17.9095 _cell_length_c 5.3335 _cell_angle_alpha 90 _cell_angle_beta 104.672 _cell_angle_gamma 90 _cell_volume 900.159 _exptl_crystal_density_diffrn 3.257 _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 NaA 0.00000 0.50000 0.00000 0.08000 0.03166 NaAm 0.04890 0.50000 0.10320 0.28000 0.02913 NaA2 0.00000 0.47290 0.00000 0.18000 0.03293 CaM4 0.00000 0.28040 0.50000 0.61000 0.01165 NaM4 0.00000 0.28040 0.50000 0.38000 0.01165 Fe2+M4 0.00000 0.28040 0.50000 0.01000 0.01165 MgM1 0.00000 0.09080 0.50000 0.68000 0.00899 Fe2+M1 0.00000 0.09080 0.50000 0.32000 0.00899 MgM2 0.00000 0.17830 0.00000 0.11000 0.00773 AlM2 0.00000 0.17830 0.00000 0.52000 0.00773 Fe2+M2 0.00000 0.17830 0.00000 0.02000 0.00773 Fe3+M2 0.00000 0.17830 0.00000 0.34000 0.00773 TiM2 0.00000 0.17830 0.00000 0.01000 0.00773 MgM3 0.00000 0.00000 0.00000 0.55000 0.00811 Fe2+M3 0.00000 0.00000 0.00000 0.43000 0.00811 MnM3 0.00000 0.00000 0.00000 0.02000 0.00811 SiT1 0.28220 0.08700 0.30100 0.50000 0.00671 AlT1 0.28220 0.08700 0.30100 0.50000 0.00671 SiT2 0.29300 0.17400 0.81560 1.00000 0.00659 O1 0.10460 0.09170 0.20980 1.00000 0.01001 O2 0.11940 0.17430 0.74440 1.00000 0.00912 O-h3 0.10960 0.00000 0.70790 0.48000 0.01368 F3 0.10960 0.00000 0.70790 0.52000 0.01368 O4 0.36870 0.25290 0.79560 1.00000 0.00963 O5 0.35500 0.13950 0.10640 1.00000 0.01191 O6 0.34300 0.11930 0.60520 1.00000 0.01241 O7 0.34000 0.00000 0.28090 1.00000 0.01494 H 0.20500 0.00000 0.76700 0.48000 0.01267 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 NaA 0.03149 0.03087 0.03682 0.00000 0.01798 0.00000 NaAm 0.02025 0.05037 0.02158 0.00000 0.01182 0.00000 NaA2 0.03239 0.02275 0.05233 0.00000 0.02562 0.00000 CaM4 0.01395 0.01137 0.01214 0.00000 0.00690 0.00000 NaM4 0.01395 0.01137 0.01214 0.00000 0.00690 0.00000 Fe2+M4 0.01395 0.01137 0.01214 0.00000 0.00690 0.00000 MgM1 0.01125 0.00975 0.00701 0.00000 0.00296 0.00000 Fe2+M1 0.01125 0.00975 0.00701 0.00000 0.00296 0.00000 MgM2 0.00765 0.00812 0.00836 0.00000 0.00271 0.00000 AlM2 0.00765 0.00812 0.00836 0.00000 0.00271 0.00000 Fe2+M2 0.00765 0.00812 0.00836 0.00000 0.00271 0.00000 Fe3+M2 0.00765 0.00812 0.00836 0.00000 0.00271 0.00000 TiM2 0.00765 0.00812 0.00836 0.00000 0.00271 0.00000 MgM3 0.00990 0.00650 0.00742 0.00000 0.00172 0.00000 Fe2+M3 0.00990 0.00650 0.00742 0.00000 0.00172 0.00000 MnM3 0.00990 0.00650 0.00742 0.00000 0.00172 0.00000 SiT1 0.00630 0.00812 0.00620 -0.00086 0.00123 -0.00047 AlT1 0.00630 0.00812 0.00620 -0.00086 0.00123 -0.00047 SiT2 0.00675 0.00650 0.00607 -0.00086 0.00148 0.00000 O1 0.00945 0.01137 0.00944 -0.00171 0.00369 -0.00187 O2 0.00675 0.00975 0.00985 0.00086 0.00123 0.00000 O-h3 0.01260 0.01300 0.01457 0.00000 0.00246 0.00000 F3 0.01260 0.01300 0.01457 0.00000 0.00246 0.00000 O4 0.01170 0.00812 0.01133 -0.00171 0.00567 -0.00047 O5 0.00900 0.01625 0.01092 -0.00257 0.00172 0.00468 O6 0.00900 0.01462 0.01389 0.00000 0.00345 -0.00421 O7 0.01125 0.01787 0.01686 0.00000 0.00542 0.00000