data_global _chemical_name_mineral 'Ferri-clinoferroholmquistite' loop_ _publ_author_name 'Oberti R' 'Camara F' 'Caballero J M' 'Ottolini L' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 1345 _journal_page_last 1354 _publ_section_title ; Sodic-ferri-ferropedrizite and ferri-clinoferroholmquistite: mineral data and degree of order of the A-site cations in Li-rich amphiboles Sequence number in the CNR-IGG database: SEQ 1043 ; _database_code_amcsd 0005891 _chemical_formula_sum 'Na.64 Li2.18 Ca.02 Mg1.06 Fe3.24 Al.26 Zn.02 Mn.14 Si8 O23.8 F.2 H1.8' _cell_length_a 9.462 _cell_length_b 17.898 _cell_length_c 5.302 _cell_angle_alpha 90 _cell_angle_beta 101.88 _cell_angle_gamma 90 _cell_volume 878.666 _exptl_crystal_density_diffrn 3.267 _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 NaAm 0.07830 0.50000 0.15450 0.28000 0.03369 LiM4* 0.00000 0.25710 0.50000 0.95000 0.02571 CaM4* 0.00000 0.25710 0.50000 0.01000 0.02571 NaM4* 0.00000 0.25710 0.50000 0.04000 0.02571 MgM1 0.00000 0.08900 0.50000 0.51000 0.00722 FeM1 0.00000 0.08900 0.50000 0.49000 0.00722 FeM2 0.00000 0.18200 0.00000 0.86000 0.00621 AlM2 0.00000 0.18200 0.00000 0.13000 0.00621 ZnM2 0.00000 0.18200 0.00000 0.01000 0.00621 LiM3 0.00000 0.00000 0.00000 0.28000 0.00773 MnM3 0.00000 0.00000 0.00000 0.14000 0.00773 FeM3 0.00000 0.00000 0.00000 0.54000 0.00773 MgM3 0.00000 0.00000 0.00000 0.04000 0.00773 SiT1 0.28690 0.08640 0.27610 1.00000 0.00557 SiT2 0.29750 0.17120 0.78540 1.00000 0.00583 O1 0.11220 0.09140 0.20200 1.00000 0.00760 O2 0.12190 0.17420 0.73140 1.00000 0.00785 O3 0.11480 0.00000 0.70220 0.90000 0.01102 F3 0.11480 0.00000 0.70220 0.10000 0.01102 O4 0.37590 0.25010 0.78050 1.00000 0.01013 O5 0.35490 0.12970 0.06170 1.00000 0.01013 O6 0.34680 0.12070 0.56040 1.00000 0.01127 O7 0.33890 0.00000 0.27960 1.00000 0.01102 H 0.19800 0.00000 0.74400 0.90000 0.03508 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 0.04126 0.02272 0.04282 0.00000 0.02409 0.00000 LiM4' 0.01998 0.04382 0.01527 0.00000 0.00876 0.00000 CaM4' 0.01998 0.04382 0.01527 0.00000 0.00876 0.00000 NaM4' 0.01998 0.04382 0.01527 0.00000 0.00876 0.00000 MgM1 0.00825 0.00649 0.00736 0.00000 0.00292 0.00000 FeM1 0.00825 0.00649 0.00736 0.00000 0.00292 0.00000 FeM2 0.00608 0.00649 0.00668 0.00000 0.00146 0.00000 AlM2 0.00608 0.00649 0.00668 0.00000 0.00146 0.00000 ZnM2 0.00608 0.00649 0.00668 0.00000 0.00146 0.00000 LiM3 0.00912 0.00649 0.00777 0.00000 0.00122 0.00000 MnM3 0.00912 0.00649 0.00777 0.00000 0.00122 0.00000 FeM3 0.00912 0.00649 0.00777 0.00000 0.00122 0.00000 MgM3 0.00912 0.00649 0.00777 0.00000 0.00122 0.00000 SiT1 0.00565 0.00487 0.00614 0.00000 0.00146 0.00000 SiT2 0.00608 0.00487 0.00600 -0.00084 0.00146 0.00000 O1 0.00565 0.00811 0.00886 0.00000 0.00146 0.00000 O2 0.00608 0.00811 0.00873 0.00000 0.00170 0.00047 O3 0.00956 0.01136 0.01255 0.00000 0.00170 0.00000 F3 0.00956 0.01136 0.01255 0.00000 0.00170 0.00000 O4 0.01173 0.00811 0.01091 -0.00336 0.00170 0.00094 O5 0.00738 0.01298 0.00982 0.00000 0.00219 0.00470 O6 0.00869 0.01623 0.00859 0.00168 0.00122 -0.00470 O7 0.01042 0.00325 0.01964 0.00000 0.00316 0.00000