data_global
_chemical_name_mineral 'Phlogopite'
loop_
_publ_author_name
'Chon C-M'
'Lee C-K'
'Song Y'
'Kim S A'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 33 
_journal_year 2006
_journal_page_first 289
_journal_page_last 299
_publ_section_title
;
 Structural changes and oxidation of ferroan phlogopite with increasing
 temperature: in situ neutron powder diffraction and Fourier transform
 infrared spectroscopy
 Sample: T = 100 C
;
_database_code_amcsd 0009033
_chemical_compound_source 'Quebec, Canada'
_chemical_formula_sum 'K Mg2.28 Fe.42 Al1.42 Ti.12 Si2.76 O11.8 H1.8 F.2'
_cell_length_a 5.3181
_cell_length_b 9.2123
_cell_length_c 10.2202
_cell_angle_alpha 90
_cell_angle_beta 100.070
_cell_angle_gamma 90
_cell_volume 492.994
_exptl_crystal_density_diffrn      2.923
_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   0.50000   0.00000   1.00000   0.03166
MgM1   0.00000   0.00000   0.50000   0.76000   0.01140
FeM1   0.00000   0.00000   0.50000   0.14000   0.01140
AlM1   0.00000   0.00000   0.50000   0.06000   0.01140
TiM1   0.00000   0.00000   0.50000   0.04000   0.01140
MgM2   0.00000   0.33200   0.50000   0.76000   0.00633
FeM2   0.00000   0.33200   0.50000   0.14000   0.00633
AlM2   0.00000   0.33200   0.50000   0.06000   0.00633
TiM2   0.00000   0.33200   0.50000   0.04000   0.00633
SiT   0.07600   0.16640   0.22470   0.69000   0.01203
AlT   0.07600   0.16640   0.22470   0.31000   0.01203
O1   0.00800   0.00000   0.16340   1.00000   0.02913
O2   0.32000   0.23110   0.17120   1.00000   0.02913
O3   0.12700   0.16720   0.39050   1.00000   0.00747
O4   0.13300   0.50000   0.39970   0.90000   0.01900
H   0.09200   0.50000   0.30600   0.90000   0.07852
F   0.13300   0.50000   0.39970   0.10000   0.01900