data_global _chemical_name_mineral 'Ferro-ferri-pedrizite' 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 1039 ; _database_code_amcsd 0005890 _chemical_formula_sum 'Na1.2 K.06 Fe3.26 Ca.04 Li1.87 Mg Al.22 Ti.12 Mn.35 Si8 O23.44 F.56 H1.44' _cell_length_a 9.496 _cell_length_b 17.883 _cell_length_c 5.297 _cell_angle_alpha 90 _cell_angle_beta 102.06 _cell_angle_gamma 90 _cell_volume 879.667 _exptl_crystal_density_diffrn 3.374 _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 0.07500 0.50000 0.15140 0.53000 0.03192 KAm 0.07500 0.50000 0.15140 0.03000 0.03192 FeM4 0.00000 0.27030 0.50000 0.30000 0.02609 CaM4 0.00000 0.27030 0.50000 0.01000 0.02609 NaM4 0.00000 0.27030 0.50000 0.03000 0.02609 LiM4* 0.00000 0.25420 0.50000 0.61000 0.02229 CaM4* 0.00000 0.25420 0.50000 0.01000 0.02229 NaM4* 0.00000 0.25420 0.50000 0.04000 0.02229 MgM1 0.00000 0.08820 0.50000 0.50000 0.00697 FeM1 0.00000 0.08820 0.50000 0.50000 0.00697 FeM2 0.00000 0.18140 0.00000 0.83000 0.00595 AlM2 0.00000 0.18140 0.00000 0.11000 0.00595 TiM2 0.00000 0.18140 0.00000 0.06000 0.00595 LiM3 0.00000 0.00000 0.00000 0.58000 0.00760 LiM3 0.00000 0.00000 0.00000 0.07000 0.00760 MnM3 0.00000 0.00000 0.00000 0.35000 0.00760 SiT1 0.28570 0.08640 0.27670 1.00000 0.00507 SiT2 0.29690 0.17120 0.78600 1.00000 0.00532 O1 0.11190 0.09150 0.20330 1.00000 0.00697 O2 0.12190 0.17410 0.73160 1.00000 0.00773 O3 0.11520 0.00000 0.70190 0.72000 0.01153 F3 0.11520 0.00000 0.70190 0.28000 0.01153 O4 0.37540 0.25010 0.78170 1.00000 0.01001 O5 0.35460 0.12920 0.06260 1.00000 0.00988 O6 0.34660 0.12060 0.56150 1.00000 0.01089 O7 0.33880 0.00000 0.28020 1.00000 0.01077 H 0.18900 0.00000 0.73400 0.72000 0.01963 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 0.04762 0.01944 0.03847 0.00000 0.03192 0.00000 KAm 0.04762 0.01944 0.03847 0.00000 0.03192 0.00000 FeM4 0.01267 0.05022 0.01890 0.00000 0.01243 0.00000 CaM4 0.01267 0.05022 0.01890 0.00000 0.01243 0.00000 NaM4 0.01267 0.05022 0.01890 0.00000 0.01243 0.00000 LiM4' 0.01573 0.04050 0.01210 0.00000 0.00390 0.00000 CaM4' 0.01573 0.04050 0.01210 0.00000 0.00390 0.00000 NaM4' 0.01573 0.04050 0.01210 0.00000 0.00390 0.00000 MgM1 0.00786 0.00810 0.00598 0.00000 0.00268 0.00000 FeM1 0.00786 0.00810 0.00598 0.00000 0.00268 0.00000 FeM2 0.00568 0.00648 0.00598 0.00000 0.00122 0.00000 AlM2 0.00568 0.00648 0.00598 0.00000 0.00122 0.00000 TiM2 0.00568 0.00648 0.00598 0.00000 0.00122 0.00000 LiM3 0.00874 0.00486 0.00788 0.00000 0.00073 0.00000 LiM3 0.00874 0.00486 0.00788 0.00000 0.00073 0.00000 MnM3 0.00874 0.00486 0.00788 0.00000 0.00073 0.00000 SiT1 0.00568 0.00486 0.00476 0.00000 0.00097 0.00000 SiT2 0.00568 0.00486 0.00462 -0.00084 0.00097 0.00000 O1 0.00568 0.00810 0.00707 0.00000 0.00097 0.00000 O2 0.00612 0.00972 0.00748 0.00000 0.00146 0.00094 O3 0.01092 0.01134 0.01237 0.00000 0.00195 0.00000 F3 0.01092 0.01134 0.01237 0.00000 0.00195 0.00000 O4 0.01136 0.00810 0.01006 -0.00421 0.00049 0.00047 O5 0.00743 0.01458 0.00816 0.00000 0.00195 0.00516 O6 0.00830 0.01620 0.00748 0.00168 0.00097 -0.00516 O7 0.00961 0.00486 0.01726 0.00000 0.00195 0.00000