data_global
_chemical_name_mineral 'Phlogopite'
loop_
_publ_author_name
'Comodi P'
'Fumagalli P'
'Montagnoli M'
'Zanazzi P F'
_journal_name_full 'American Mineralogist'
_journal_volume 89 
_journal_year 2004
_journal_page_first 647
_journal_page_last 653
_publ_section_title
;
 A single-crystal study on the pressure behavior of phlogopite
 and petrological implications
 P = 5.0 GPa
;
_database_code_amcsd 0003537
_chemical_formula_sum 'K.91 Ba.03 Na.02 (Si2.72 Al1.28) (Mg2.18 Fe.82) O11.82 F.18 H1.72'
_cell_length_a 5.271
_cell_length_b 9.130
_cell_length_c 9.78
_cell_angle_alpha 90
_cell_angle_beta 100.3
_cell_angle_gamma 90
_cell_volume 463.070
_exptl_crystal_density_diffrn      3.185
_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
K   0.00000   0.00000   0.00000   0.91000   0.01790
Ba   0.00000   0.00000   0.00000   0.03000   0.01790
Na   0.00000   0.00000   0.00000   0.02000   0.01790
SiT   0.57150   0.16730   0.21510   0.68000   0.01080
AlT   0.57150   0.16730   0.21510   0.32000   0.01080
MgM1   0.00000   0.50000   0.50000   0.72000   0.00850
FeM1   0.00000   0.50000   0.50000   0.28000   0.00850
MgM2   0.00000   0.83660   0.50000   0.73000   0.01000
FeM2   0.00000   0.83660   0.50000   0.27000   0.01000
O1   0.83400   0.21340   0.15800   1.00000   0.02100
O2   0.49000   0.00000   0.15600   1.00000   0.02200
O3   0.62900   0.16750   0.38800   1.00000   0.01300
O4   0.12800   0.00000   0.38700   0.05000   0.01400
F4   0.12800   0.00000   0.38700   0.09000   0.01400
O-H4   0.12800   0.00000   0.38700   0.86000   0.01400