data_global _chemical_name_mineral 'Ferro-fluoro-pedrizite' loop_ _publ_author_name 'Oberti R' 'Boiocchi M' 'Ball N A' 'Hawthorne F C' _journal_name_full 'Mineralogical Magazine' _journal_volume 73 _journal_year 2009 _journal_page_first 487 _journal_page_last 494 _publ_section_title ; Fluoro-sodic-ferropedrizite, NaLi2(Fe2+2Al2Li)Si8O22F2, a new mineral of the amphibole group from the Sutlug River, Tuva Republic, Russia: description and crystal structure ; _database_code_amcsd 0017596 _chemical_compound_source 'Sutlug River, Tuva Republic, Russia' _chemical_formula_sum 'Na.73 Li2.56 Ca.04 Mg1.1 Fe1.16 Zn.02 Al1.98 Mn.08 Si8 O22.98 F1.02 H.98' _cell_length_a 9.3720 _cell_length_b 17.6312 _cell_length_c 5.2732 _cell_angle_alpha 90 _cell_angle_beta 102.247 _cell_angle_gamma 90 _cell_volume 851.512 _exptl_crystal_density_diffrn 3.118 _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 0.03000 0.04154 NaAm 0.07150 0.50000 0.14520 0.32000 0.03002 LiM4 0.00000 0.25710 0.50000 0.95000 0.02014 NaM4 0.00000 0.25710 0.50000 0.03000 0.02014 CaM4 0.00000 0.25710 0.50000 0.02000 0.02014 MgM1 0.00000 0.08940 0.50000 0.55000 0.00684 FeM1 0.00000 0.08940 0.50000 0.44000 0.00684 ZnM1 0.00000 0.08940 0.50000 0.01000 0.00684 AlM2 0.00000 0.17940 0.00000 0.99000 0.00532 FeM2 0.00000 0.17940 0.00000 0.01000 0.00532 LiM3 0.00000 0.00000 0.00000 0.66000 0.00418 FeM3 0.00000 0.00000 0.00000 0.26000 0.00418 MnM3 0.00000 0.00000 0.00000 0.08000 0.00418 SiT1 0.28440 0.08790 0.27870 1.00000 0.00443 SiT2 0.29740 0.17380 0.79190 1.00000 0.00469 O1 0.10880 0.09430 0.19860 1.00000 0.00633 O2 0.11980 0.17500 0.74160 1.00000 0.00709 O-H3 0.11730 0.00000 0.69480 0.49000 0.01178 F3 0.19500 0.00000 0.73000 0.51000 0.00608 O4 0.37730 0.25320 0.79140 1.00000 0.00861 O5 0.35790 0.12900 0.06480 1.00000 0.00975 O6 0.34620 0.12340 0.56260 1.00000 0.01077 O7 0.33670 0.00000 0.28750 1.00000 0.01026 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 0.81591 0.14173 0.46548 0.00000 0.52363 0.00000 NaAm 0.43345 0.23622 0.31346 0.00000 0.27258 0.00000 LiM4 0.16998 0.31497 0.12780 0.00000 0.05738 0.00000 NaM4 0.16998 0.31497 0.12780 0.00000 0.05738 0.00000 CaM4 0.16998 0.31497 0.12780 0.00000 0.05738 0.00000 MgM1 0.07649 0.07874 0.06592 0.00000 0.02630 0.00000 FeM1 0.07649 0.07874 0.06592 0.00000 0.02630 0.00000 ZnM1 0.07649 0.07874 0.06592 0.00000 0.02630 0.00000 AlM2 0.04674 0.04724 0.05785 0.00000 0.01196 0.00000 FeM2 0.04674 0.04724 0.05785 0.00000 0.01196 0.00000 LiM3 0.05949 0.03150 0.03767 0.00000 0.00000 0.00000 FeM3 0.05949 0.03150 0.03767 0.00000 0.00000 0.00000 MnM3 0.05949 0.03150 0.03767 0.00000 0.00000 0.00000 SiT1 0.04250 0.04724 0.04709 0.00000 0.00956 0.00000 SiT2 0.04250 0.04724 0.04574 -0.00818 0.00956 -0.00460 O1 0.05099 0.06299 0.07399 0.00000 0.01435 0.00000 O2 0.05524 0.09449 0.06996 0.00000 0.01435 4.60287 O-H3 0.11049 0.11024 0.13588 0.00000 0.01674 0.00000 O4 0.08499 0.06299 0.10359 -0.03272 0.01435 0.00000 O5 0.06799 0.14173 0.08610 0.00000 0.02152 0.05984 O6 0.06799 0.15748 0.08745 0.01636 0.00478 -0.05523 O7 0.08499 0.04724 0.17624 0.00000 0.03587 0.00000