data_global _chemical_name_mineral 'Fluoro-pedrizite' loop_ _publ_author_name 'Oberti R' 'Camara F' 'Ottolini L' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 732 _journal_page_last 736 _publ_section_title ; Clinoholmquistite discredited: The new amphibole end-member fluoro-sodic-pedrizite sample from Tastyg spodumene deposit, Tuva, Siberia, Russia ; _database_code_amcsd 0003770 _chemical_formula_sum 'Na.67 K.01 Mg1.82 Fe.52 Al2.02 Cr.01 Zn.01 Li2.57 Mn.02 Ca.04 Si7.96 O23.1 (F.9 H1.1)' _cell_length_a 9.368 _cell_length_b 17.616 _cell_length_c 5.271 _cell_angle_alpha 90 _cell_angle_beta 102.38 _cell_angle_gamma 90 _cell_volume 849.629 _exptl_crystal_density_diffrn 3.036 _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 0.14400 0.04053 KA 0.00000 0.50000 0.00000 0.00200 0.04053 NaAm 0.06730 0.50000 0.13690 0.24800 0.03546 KAm 0.06730 0.50000 0.13690 0.00400 0.03546 Mg1 0.00000 0.08900 0.50000 0.84500 0.00811 Fe1 0.00000 0.08900 0.50000 0.15500 0.00811 Al2 0.00000 0.17870 0.00000 0.99000 0.00747 Cr2 0.00000 0.17870 0.00000 0.00500 0.00747 Zn2 0.00000 0.17870 0.00000 0.00500 0.00747 Li3 0.00000 0.00000 0.00000 0.64000 0.00646 Fe3 0.00000 0.00000 0.00000 0.21000 0.00646 Mg3 0.00000 0.00000 0.00000 0.13000 0.00646 Mn3 0.00000 0.00000 0.00000 0.02000 0.00646 Li4 0.00000 0.25870 0.50000 0.96500 0.02026 Ca4 0.00000 0.25870 0.50000 0.02000 0.02026 Na4 0.00000 0.25870 0.50000 0.01500 0.02026 Si1 0.28550 0.08790 0.28030 0.99000 0.00646 Al1 0.28550 0.08790 0.28030 0.01000 0.00646 Si2 0.29710 0.17400 0.79290 1.00000 0.00671 O1 0.10910 0.09330 0.20030 1.00000 0.00760 O2 0.11900 0.17400 0.74020 1.00000 0.00849 O-H3 0.11610 0.00000 0.69380 0.55000 0.01292 F3 0.11610 0.00000 0.69380 0.45000 0.01292 O4 0.37590 0.25390 0.79150 1.00000 0.01064 O5 0.35830 0.13000 0.06770 1.00000 0.01241 O6 0.34720 0.12350 0.56500 1.00000 0.01330 O7 0.33910 0.00000 0.28810 1.00000 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 0.06320 0.01415 0.06110 0.00000 0.05227 0.00000 KA 0.06320 0.01415 0.06110 0.00000 0.05227 0.00000 NaAm 0.04963 0.02515 0.04002 0.00000 0.03079 0.00000 KAm 0.04963 0.02515 0.04002 0.00000 0.03079 0.00000 Mg1 0.00976 0.00786 0.00792 0.00000 0.00358 0.00000 Fe1 0.00976 0.00786 0.00792 0.00000 0.00358 0.00000 Al2 0.00679 0.00786 0.00806 0.00000 0.00143 0.00000 Cr2 0.00679 0.00786 0.00806 0.00000 0.00143 0.00000 Zn2 0.00679 0.00786 0.00806 0.00000 0.00143 0.00000 Li3 0.00933 0.00314 0.00685 0.00000 0.00143 0.00000 Fe3 0.00933 0.00314 0.00685 0.00000 0.00143 0.00000 Mg3 0.00933 0.00314 0.00685 0.00000 0.00143 0.00000 Mn3 0.00933 0.00314 0.00685 0.00000 0.00143 0.00000 Li4 0.01400 0.03773 0.01249 0.00000 0.00621 0.00000 Ca4 0.01400 0.03773 0.01249 0.00000 0.00621 0.00000 Na4 0.01400 0.03773 0.01249 0.00000 0.00621 0.00000 Si1 0.00721 0.00472 0.00712 0.00000 0.00191 0.00000 Al1 0.00721 0.00472 0.00712 0.00000 0.00191 0.00000 Si2 0.00721 0.00629 0.00671 -0.00082 0.00167 0.00000 O1 0.00636 0.00786 0.00927 0.00000 0.00191 -0.00046 O2 0.00679 0.00943 0.00994 0.00000 0.00191 0.00000 O-H3 0.01357 0.01100 0.01329 0.00000 0.00095 0.00000 F3 0.01357 0.01100 0.01329 0.00000 0.00095 0.00000 O4 0.01188 0.00786 0.01168 -0.00327 0.00167 0.00046 O5 0.00848 0.01729 0.01168 0.00000 0.00239 0.00597 O6 0.00933 0.01887 0.01209 0.00082 0.00143 -0.00597 O7 0.01230 0.00472 0.02014 0.00000 0.00239 0.00000