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: 21
;
_database_code_amcsd 0006497
_chemical_formula_sum 'O11.835 F.165 (K.919 Na.049 Ba.032) Al1.457 Fe.695 Mg1.997 Mn.004 Ti.166 Si2.68 H1.265'
_cell_length_a 5.326
_cell_length_b 9.222
_cell_length_c 10.223
_cell_angle_alpha 90
_cell_angle_beta 100.04
_cell_angle_gamma 90
_cell_volume 494.427
_exptl_crystal_density_diffrn      2.991
_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   0.00900   0.00000   0.16990   1.00000   0.02812
O2   0.33000   0.22640   0.16910   1.00000   0.02774
O3   0.13040   0.16750   0.39130   1.00000   0.02014
O-H4   0.13260   0.50000   0.39920   0.63250   0.01988
F4   0.13260   0.50000   0.39920   0.08230   0.01988
O4   0.13260   0.50000   0.39920   0.28520   0.01988
K   0.00000   0.50000   0.00000   0.91900   0.03762
Na   0.00000   0.50000   0.00000   0.04900   0.03762
Ba   0.00000   0.50000   0.00000   0.03200   0.03762
AlM2   0.00000   0.33540   0.50000   0.04580   0.02064
FeM2   0.00000   0.33540   0.50000   0.23180   0.02064
MgM2   0.00000   0.33540   0.50000   0.66550   0.02064
MnM2   0.00000   0.33540   0.50000   0.00150   0.02064
TiM2   0.00000   0.33540   0.50000   0.05530   0.02064
AlM1   0.00000   0.00000   0.50000   0.04580   0.01887
FeM1   0.00000   0.00000   0.50000   0.23180   0.01887
MgM1   0.00000   0.00000   0.50000   0.66550   0.01887
MnM1   0.00000   0.00000   0.50000   0.00150   0.01887
TiM1   0.00000   0.00000   0.50000   0.05530   0.01887
SiT   0.07520   0.16680   0.22620   0.67010   0.01722
AlT   0.07520   0.16680   0.22620   0.32990   0.01722
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 0.03470 0.02068 0.02772 0.00000 0.00267 0.00000
O2 0.02578 0.03145 0.02669 -0.00564 0.00749 -0.00329
O3 0.02034 0.01810 0.02259 0.00025 0.00481 0.00047
O-H4 0.01867 0.01939 0.02207 0.00000 0.00428 0.00000
F4 0.01867 0.01939 0.02207 0.00000 0.00428 0.00000
O4 0.01867 0.01939 0.02207 0.00000 0.00428 0.00000
K 0.03776 0.03576 0.03953 0.00000 0.00802 0.00000
Na 0.03776 0.03576 0.03953 0.00000 0.00802 0.00000
Ba 0.03776 0.03576 0.03953 0.00000 0.00802 0.00000
AlM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000
FeM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000
MgM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000
MnM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000
TiM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000
AlM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000
FeM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000
MgM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000
MnM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000
TiM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000
SiT 0.01602 0.01465 0.02156 0.00000 0.00481 -0.00047
AlT 0.01602 0.01465 0.02156 0.00000 0.00481 -0.00047