data_global
_chemical_name_mineral 'Phlogopite'
loop_
_publ_author_name
'Brigatti M F'
'Poppi L'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 5 
_journal_year 1993
_journal_page_first 857
_journal_page_last 871
_publ_section_title
;
 Crystal chemistry of Ba-rich trioctahedral micas-1M
 Sample: 18
;
_database_code_amcsd 0006494
_chemical_formula_sum 'O11.21 F.79 K.933 Na.06 Ba.007 Al1.069 Fe.246 Mg2.326 Mn.005 Ti.414 Si2.939 H.245'
_cell_length_a 5.320
_cell_length_b 9.207
_cell_length_c 10.100
_cell_angle_alpha 90
_cell_angle_beta 100.24
_cell_angle_gamma 90
_cell_volume 486.831
_exptl_crystal_density_diffrn      2.968
_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   0.02520   0.00000   0.16650   1.00000   0.02090
O2   0.31900   0.23520   0.16470   1.00000   0.02140
O3   0.13160   0.16850   0.39060   1.00000   0.01292
O-H4   0.13050   0.50000   0.40130   0.12250   0.01203
F4   0.13050   0.50000   0.40130   0.39500   0.01203
O4   0.13050   0.50000   0.40130   0.48250   0.01203
K   0.00000   0.50000   0.00000   0.93340   0.02951
Na   0.00000   0.50000   0.00000   0.06000   0.02951
Ba   0.00000   0.50000   0.00000   0.00650   0.02951
AlM2   0.00000   0.34150   0.50000   0.00280   0.01634
FeM2   0.00000   0.34150   0.50000   0.08190   0.01634
MgM2   0.00000   0.34150   0.50000   0.77530   0.01634
MnM2   0.00000   0.34150   0.50000   0.00170   0.01634
TiM2   0.00000   0.34150   0.50000   0.13810   0.01634
AlM1   0.00000   0.00000   0.50000   0.00280   0.01406
FeM1   0.00000   0.00000   0.50000   0.08190   0.01406
MgM1   0.00000   0.00000   0.50000   0.77530   0.01406
MnM1   0.00000   0.00000   0.50000   0.00170   0.01406
TiM1   0.00000   0.00000   0.50000   0.13810   0.01406
SiT   0.07440   0.16710   0.22360   0.73470   0.01077
AlT   0.07440   0.16710   0.22360   0.26520   0.01077
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 0.02624 0.01589 0.01952 0.00000 0.00158 0.00000
O2 0.01944 0.02448 0.02002 -0.00562 0.00316 -0.00185
O3 0.01152 0.01159 0.01551 0.00049 0.00185 -0.00046
O-H4 0.00875 0.01374 0.01351 0.00000 0.00185 0.00000
F4 0.00875 0.01374 0.01351 0.00000 0.00185 0.00000
O4 0.00875 0.01374 0.01351 0.00000 0.00185 0.00000
K 0.02833 0.02834 0.03153 0.00000 0.00448 0.00000
Na 0.02833 0.02834 0.03153 0.00000 0.00448 0.00000
Ba 0.02833 0.02834 0.03153 0.00000 0.00448 0.00000
AlM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000
FeM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000
MgM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000
MnM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000
TiM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000
AlM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000
FeM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000
MgM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000
MnM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000
TiM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000
SiT 0.00875 0.00988 0.01351 0.00000 0.00158 0.00000
AlT 0.00875 0.00988 0.01351 0.00000 0.00158 0.00000