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: Ma1, titanian
;
_database_code_amcsd 0005752
_chemical_compound_source 'Alto Paranaiba Igneous Province, Southeastern Brazil'
_chemical_formula_sum 'O11.08 F.92 (Si2.96 Al1.04) Mg2.74 Fe2.14 Ti2.11 (Na.02 K.97 Ba.01) H.86'
_cell_length_a 5.317
_cell_length_b 9.208
_cell_length_c 10.118
_cell_angle_alpha 90
_cell_angle_beta 100.15
_cell_angle_gamma 90
_cell_volume 487.614
_exptl_crystal_density_diffrn      4.316
_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   0.03220   0.00000   0.16610   1.00000   0.02014
O2   0.31640   0.23890   0.16500   1.00000   0.02090
O3   0.13050   0.16800   0.39000   1.00000   0.01077
O-H4   0.13080   0.50000   0.40020   0.43000   0.01355
F4   0.13080   0.50000   0.40020   0.46000   0.01355
O4   0.13080   0.50000   0.40020   0.11000   0.01355
SiT   0.07455   0.16694   0.22406   0.74000   0.00773
AlT   0.07455   0.16694   0.22406   0.26000   0.00773
MgM1   0.00000   0.00000   0.50000   0.74000   0.00798
FeM1   0.00000   0.00000   0.50000   0.14000   0.00798
TiM1   0.00000   0.00000   0.50000   0.11000   0.00798
MgM2   0.00000   0.33960   0.50000   1.00000   0.01178
FeM2   0.00000   0.33960   0.50000   1.00000   0.01178
TiM2   0.00000   0.33960   0.50000   1.00000   0.01178
NaA   0.00000   0.50000   0.00000   0.02000   0.02862
KA   0.00000   0.50000   0.00000   0.97000   0.02862
BaA   0.00000   0.50000   0.00000   0.01000   0.02862
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 0.02997 0.01289 0.01658 0.00000 0.00211 0.00000
O2 0.02054 0.02491 0.01709 -0.00684 0.00290 -0.00232
O3 0.01193 0.00816 0.01256 0.00024 0.00264 0.00046
O-H4 0.01249 0.01460 0.01357 0.00000 0.00317 0.00000
F4 0.01249 0.01460 0.01357 0.00000 0.00317 0.00000
O4 0.01249 0.01460 0.01357 0.00000 0.00317 0.00000
SiT 0.00749 0.00472 0.01106 0.00024 0.00238 0.00000
AlT 0.00749 0.00472 0.01106 0.00024 0.00238 0.00000
MgM1 0.00638 0.00387 0.01407 0.00000 0.00370 0.00000
FeM1 0.00638 0.00387 0.01407 0.00000 0.00370 0.00000
TiM1 0.00638 0.00387 0.01407 0.00000 0.00370 0.00000
MgM2 0.00735 0.01546 0.01307 0.00000 0.00264 0.00000
FeM2 0.00735 0.01546 0.01307 0.00000 0.00264 0.00000
TiM2 0.00735 0.01546 0.01307 0.00000 0.00264 0.00000
NaA 0.02817 0.02577 0.03216 0.00000 0.00555 0.00000
KA 0.02817 0.02577 0.03216 0.00000 0.00555 0.00000
BaA 0.02817 0.02577 0.03216 0.00000 0.00555 0.00000