data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Scordari F' 'Schingaro E' 'Lacalamita M' 'Mesto E' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 430 _journal_page_last 439 _publ_section_title ; Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_6 ; _database_code_amcsd 0020822 _chemical_compound_source 'southwest Uganda' _chemical_formula_sum 'K.93 Na.04 Ba.01 Mg2.23 Fe.4 Cr.02 Ti.32 Al1.12 Si2.91 O11.74 H1.24 F.02' _cell_length_a 5.3252 _cell_length_b 9.2246 _cell_length_c 20.1908 _cell_angle_alpha 90 _cell_angle_beta 95.086 _cell_angle_gamma 90 _cell_volume 987.924 _exptl_crystal_density_diffrn 2.911 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 K 0.00000 0.08381 0.25000 0.93000 Na 0.00000 0.08381 0.25000 0.04000 Ba 0.00000 0.08381 0.25000 0.01000 Mg1 0.75000 0.25000 0.00000 0.81000 Fe1 0.75000 0.25000 0.00000 0.17000 Cr1 0.75000 0.25000 0.00000 0.02000 Mg2 0.24315 0.08098 0.00000 0.71000 Fe2 0.24315 0.08098 0.00000 0.08000 Ti2 0.24315 0.08098 0.00000 0.16000 Al2 0.24315 0.08098 0.00000 0.04500 Si1 0.46198 0.25002 0.13689 1.00000 Si2 0.96289 0.41689 0.13688 0.45500 Al3 0.96289 0.41689 0.13688 0.51500 Fe3 0.96289 0.41689 0.13688 0.03500 O11 0.74120 0.31440 0.16533 1.00000 O21 0.24110 0.35240 0.16596 1.00000 O22 0.43420 0.08340 0.16587 1.00000 O31 0.43260 0.25702 0.05436 1.00000 O32 0.93640 0.42469 0.05438 1.00000 O4 0.93480 0.09030 0.05094 0.87000 H 0.93900 0.07700 0.09500 0.62000 F 0.93900 0.07700 0.09500 0.01000 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 K 0.03240 0.03200 0.03440 0.00000 0.00290 0.00000 Na 0.03240 0.03200 0.03440 0.00000 0.00290 0.00000 Ba 0.03240 0.03200 0.03440 0.00000 0.00290 0.00000 Mg1 0.00770 0.00710 0.01360 -0.00050 0.00170 -0.00170 Fe1 0.00770 0.00710 0.01360 -0.00050 0.00170 -0.00170 Cr1 0.00770 0.00710 0.01360 -0.00050 0.00170 -0.00170 Mg2 0.01320 0.00850 0.01180 0.00100 0.00090 0.00260 Fe2 0.01320 0.00850 0.01180 0.00100 0.00090 0.00260 Ti2 0.01320 0.00850 0.01180 0.00100 0.00090 0.00260 Al2 0.01320 0.00850 0.01180 0.00100 0.00090 0.00260 Si1 0.00767 0.00704 0.01100 -0.00020 0.00098 -0.00022 Si2 0.00819 0.00765 0.01085 -0.00030 0.00097 -0.00050 Al3 0.00819 0.00765 0.01085 -0.00030 0.00097 -0.00050 Fe3 0.00819 0.00765 0.01085 -0.00030 0.00097 -0.00050 O11 0.01640 0.02300 0.01370 0.00210 0.00010 -0.00620 O21 0.01570 0.02220 0.01500 -0.00210 -0.00030 0.00610 O22 0.02680 0.01170 0.01470 0.00010 0.00410 0.00070 O31 0.00910 0.00420 0.01080 -0.00150 0.00130 0.00050 O32 0.00890 0.00300 0.01070 -0.00120 0.00130 -0.00030 O4 0.01160 0.00590 0.01120 0.00340 0.00090 0.00080 H 0.01160 0.00590 0.01120 0.00340 0.00090 0.00080 F 0.01160 0.00590 0.01120 0.00340 0.00090 0.00080