data_global
_chemical_name_mineral 'Phlogopite'
loop_
_publ_author_name
'Brigatti M F'
'Medici L'
'Poppi L'
'Vaccaro C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 39 
_journal_year 2001
_journal_page_first 1333
_journal_page_last 1345
_publ_section_title
;
 Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba
 Igneous Province, Southeastern Brazil
 Sample: Taa11-1A, ferroan
 T-O3 given as 1.663, but I compute 1.647
;
_database_code_amcsd 0005746
_chemical_compound_source 'Alto Paranaiba Igneous Province, Southeastern Brazil'
_chemical_formula_sum 'O11.96 F.04 Si2.84 Al1.12 Fe.7 Mg2.25 Ti.09 (Na.02 K.98) H1.84'
_cell_length_a 5.329
_cell_length_b 9.244
_cell_length_c 10.271
_cell_angle_alpha 90
_cell_angle_beta 99.97
_cell_angle_gamma 90
_cell_volume 498.322
_exptl_crystal_density_diffrn      2.938
_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
O1   0.01340   0.00000   0.16990   1.00000   0.01773
O2   0.32900   0.22840   0.17060   1.00000   0.01862
O3   0.13020   0.16670   0.39040   1.00000   0.00646
O-H4   0.13090   0.50000   0.39620   0.92000   0.00709
F4   0.13090   0.50000   0.39620   0.02000   0.00709
O4   0.13090   0.50000   0.39620   0.06000   0.00709
SiT   0.07570   0.16666   0.22758   0.71000   0.00671
AlT   0.07570   0.16666   0.22758   0.28000   0.00671
FeT   0.07570   0.16666   0.22758   0.01000   0.00671
MgM1   0.00000   0.00000   0.50000   0.75000   0.00646
FeM1   0.00000   0.00000   0.50000   0.22000   0.00646
TiM1   0.00000   0.00000   0.50000   0.03000   0.00646
MgM2   0.00000   0.33270   0.50000   0.75000   0.00671
FeM2   0.00000   0.33270   0.50000   0.22000   0.00671
TiM2   0.00000   0.33270   0.50000   0.03000   0.00671
NaA   0.00000   0.50000   0.00000   0.02000   0.03217
KA   0.00000   0.50000   0.00000   0.98000   0.03217
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
O1 0.02093 0.00866 0.02333 0.00000 0.00242 0.00000
O2 0.01744 0.02208 0.01711 -0.00393 0.00538 -0.00237
O3 0.00195 0.00996 0.00726 0.00074 0.00054 0.00000
O-H4 0.00488 0.00823 0.00778 0.00000 0.00027 0.00000
F4 0.00488 0.00823 0.00778 0.00000 0.00027 0.00000
O4 0.00488 0.00823 0.00778 0.00000 0.00027 0.00000
SiT 0.00321 0.00693 0.01037 0.00025 0.00161 0.00000
AlT 0.00321 0.00693 0.01037 0.00025 0.00161 0.00000
FeT 0.00321 0.00693 0.01037 0.00025 0.00161 0.00000
MgM1 0.00265 0.00649 0.01037 0.00000 0.00081 0.00000
FeM1 0.00265 0.00649 0.01037 0.00000 0.00081 0.00000
TiM1 0.00265 0.00649 0.01037 0.00000 0.00081 0.00000
MgM2 0.00307 0.00649 0.01037 0.00000 0.00027 0.00000
FeM2 0.00307 0.00649 0.01037 0.00000 0.00027 0.00000
TiM2 0.00307 0.00649 0.01037 0.00000 0.00027 0.00000
NaA 0.03377 0.03636 0.02592 0.00000 0.00430 0.00000
KA 0.03377 0.03636 0.02592 0.00000 0.00430 0.00000