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: 22
;
_database_code_amcsd 0006498
_chemical_formula_sum 'O11.693 F.307 (K.854 Na.11 Ba.036) Al.748 Fe.745 Mg1.7 Mn.007 Ti.487 Si3.252 H.556'
_cell_length_a 5.330
_cell_length_b 9.245
_cell_length_c 10.192
_cell_angle_alpha 90
_cell_angle_beta 100.35
_cell_angle_gamma 90
_cell_volume 494.048
_exptl_crystal_density_diffrn      3.041
_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   0.03570   0.00000   0.16750   1.00000   0.04433
O2   0.31420   0.23760   0.16550   1.00000   0.04306
O3   0.13390   0.16870   0.39050   1.00000   0.02888
O-H4   0.13280   0.50000   0.39680   0.27780   0.02026
F4   0.13280   0.50000   0.39680   0.15330   0.02026
O4   0.13280   0.50000   0.39680   0.56890   0.02026
K   0.00000   0.50000   0.00000   0.85450   0.04800
Na   0.00000   0.50000   0.00000   0.11000   0.04800
Ba   0.00000   0.50000   0.00000   0.03550   0.04800
AlM2   0.00000   0.34080   0.50000   0.00020   0.02748
FeM2   0.00000   0.34080   0.50000   0.24820   0.02748
MgM2   0.00000   0.34080   0.50000   0.56670   0.02748
MnM2   0.00000   0.34080   0.50000   0.00220   0.02748
TiM2   0.00000   0.34080   0.50000   0.16220   0.02748
AlM1   0.00000   0.00000   0.50000   0.00020   0.02457
FeM1   0.00000   0.00000   0.50000   0.24820   0.02457
MgM1   0.00000   0.00000   0.50000   0.56670   0.02457
MnM1   0.00000   0.00000   0.50000   0.00220   0.02457
TiM1   0.00000   0.00000   0.50000   0.16220   0.02457
SiT   0.07310   0.16700   0.22310   0.81310   0.02178
AlT   0.07310   0.16700   0.22310   0.18690   0.02178
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 0.03830 0.03897 0.05500 0.00000 0.00399 0.00000
O2 0.02535 0.05369 0.04838 0.00147 0.00186 -0.00470
O3 0.02437 0.01905 0.04380 -0.00172 0.00799 -0.00094
O-H4 0.02131 0.01775 0.02343 0.00000 0.00639 0.00000
F4 0.02131 0.01775 0.02343 0.00000 0.00639 0.00000
O4 0.02131 0.01775 0.02343 0.00000 0.00639 0.00000
K 0.04276 0.03507 0.06569 0.00000 0.00799 0.00000
Na 0.04276 0.03507 0.06569 0.00000 0.00799 0.00000
Ba 0.04276 0.03507 0.06569 0.00000 0.00799 0.00000
AlM2 0.02813 0.02338 0.03157 0.00000 0.00719 0.00000
FeM2 0.02813 0.02338 0.03157 0.00000 0.00719 0.00000
MgM2 0.02813 0.02338 0.03157 0.00000 0.00719 0.00000
MnM2 0.02813 0.02338 0.03157 0.00000 0.00719 0.00000
TiM2 0.02813 0.02338 0.03157 0.00000 0.00719 0.00000
AlM1 0.02423 0.01602 0.03514 0.00000 0.00959 0.00000
FeM1 0.02423 0.01602 0.03514 0.00000 0.00959 0.00000
MgM1 0.02423 0.01602 0.03514 0.00000 0.00959 0.00000
MnM1 0.02423 0.01602 0.03514 0.00000 0.00959 0.00000
TiM1 0.02423 0.01602 0.03514 0.00000 0.00959 0.00000
SiT 0.02047 0.01386 0.03157 -0.00221 0.00639 0.00000
AlT 0.02047 0.01386 0.03157 -0.00221 0.00639 0.00000