data_global _chemical_name_mineral 'Ferri-ottoliniite' loop_ _publ_author_name 'Oberti R' 'Camara F' 'Caballero J M' _journal_name_full 'American Mineralogist' _journal_volume 89 _journal_year 2004 _journal_page_first 888 _journal_page_last 893 _publ_section_title ; Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new Group 5 for monoclinic amphiboles ; _database_code_amcsd 0003547 _chemical_formula_sum 'Na1.376 K.125 Mg1.35 Fe2.63 Zn.31 Al.1 Ti.06 Li1.66 Mn.13 Ca.06 Si8 H1.51 O23.51 F.47' _cell_length_a 9.535 _cell_length_b 17.876 _cell_length_c 5.294 _cell_angle_alpha 90 _cell_angle_beta 102.54 _cell_angle_gamma 90 _cell_volume 880.824 _exptl_crystal_density_diffrn 3.297 _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 0.00203 KA 0.00000 0.50000 0.00000 0.01500 0.00203 NaAm 0.06700 0.50000 0.13600 0.29800 0.03470 KAm 0.06700 0.50000 0.13600 0.05500 0.03470 MgM1 0.00000 0.08820 0.50000 0.60500 0.01064 FeM1 0.00000 0.08820 0.50000 0.27500 0.01064 ZnM1 0.00000 0.08820 0.50000 0.12000 0.01064 FeM2 0.00000 0.18130 0.00000 0.85500 0.00861 AlM2 0.00000 0.18130 0.00000 0.05000 0.00861 TiM2 0.00000 0.18130 0.00000 0.03000 0.00861 ZnM2 0.00000 0.18130 0.00000 0.03500 0.00861 MgM2 0.00000 0.18130 0.00000 0.03000 0.00861 LiM3 0.00000 0.00000 0.00000 0.42000 0.01165 MnM3 0.00000 0.00000 0.00000 0.13000 0.01165 FeM3 0.00000 0.00000 0.00000 0.37000 0.01165 MgM3 0.00000 0.00000 0.00000 0.08000 0.01165 LiM4 0.00000 0.27430 0.50000 0.46000 0.03318 CaM4 0.00000 0.27430 0.50000 0.02000 0.03318 NaM4 0.00000 0.27430 0.50000 0.26000 0.03318 LiM4* 0.00000 0.24770 0.50000 0.16000 0.02432 CaM4* 0.00000 0.24770 0.50000 0.01000 0.02432 NaM4* 0.00000 0.24770 0.50000 0.09000 0.02432 SiT1 0.28560 0.08600 0.28060 1.00000 0.00963 SiT2 0.29570 0.17070 0.78950 1.00000 0.00912 H 0.20400 0.00000 0.77100 0.75500 0.00646 O1 0.11260 0.09070 0.20630 1.00000 0.01089 O2 0.12130 0.17260 0.73260 1.00000 0.01165 O3 0.11410 0.00000 0.70130 0.75500 0.01558 F3 0.11410 0.00000 0.70130 0.23500 0.01558 O4 0.37270 0.25020 0.78680 1.00000 0.01406 O5 0.35440 0.12940 0.06760 1.00000 0.01216 O6 0.34540 0.12040 0.56580 1.00000 0.01267 O7 0.33800 0.00000 0.28390 1.00000 0.01355 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 NaAm 0.04345 0.02752 0.04221 0.00000 0.02900 0.00000 KAm 0.04345 0.02752 0.04221 0.00000 0.02900 0.00000 MgM1 0.01668 0.00648 0.00866 0.00000 0.00341 0.00000 FeM1 0.01668 0.00648 0.00866 0.00000 0.00341 0.00000 ZnM1 0.01668 0.00648 0.00866 0.00000 0.00341 0.00000 FeM2 0.01273 0.00648 0.00758 0.00000 0.00292 0.00000 AlM2 0.01273 0.00648 0.00758 0.00000 0.00292 0.00000 TiM2 0.01273 0.00648 0.00758 0.00000 0.00292 0.00000 ZnM2 0.01273 0.00648 0.00758 0.00000 0.00292 0.00000 MgM2 0.01273 0.00648 0.00758 0.00000 0.00292 0.00000 LiM3 0.01580 0.00971 0.00988 0.00000 0.00268 0.00000 MnM3 0.01580 0.00971 0.00988 0.00000 0.00268 0.00000 FeM3 0.01580 0.00971 0.00988 0.00000 0.00268 0.00000 MgM3 0.01580 0.00971 0.00988 0.00000 0.00268 0.00000 LiM4 0.04872 0.02590 0.02828 0.00000 0.01511 0.00000 CaM4 0.04872 0.02590 0.02828 0.00000 0.01511 0.00000 NaM4 0.04872 0.02590 0.02828 0.00000 0.01511 0.00000 SiT1 0.01317 0.00648 0.00934 0.00000 0.00171 -0.00047 SiT2 0.01404 0.00486 0.00798 -0.00084 0.00146 0.00000 O1 0.01404 0.00648 0.01191 -0.00084 0.00292 0.00094 O2 0.01536 0.01133 0.00893 0.00084 0.00341 -0.00187 O3 0.01975 0.00971 0.01637 0.00000 0.00366 0.00000 F3 0.01975 0.00971 0.01637 0.00000 0.00366 0.00000 O4 0.02150 0.00648 0.01312 -0.00506 0.00122 0.00094 O5 0.01668 0.01295 0.00690 -0.00253 0.00390 0.00374 O6 0.01580 0.01457 0.00798 0.00253 0.00219 -0.00562 O7 0.01843 0.00648 0.01786 0.00000 0.00828 0.00000