data_global
_chemical_name_mineral 'Phlogopite'
loop_
_publ_author_name
'Zema M'
'Ventruti G'
'Lacalamita M'
'Scordari F'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 1458
_journal_page_last 1466
_publ_section_title
;
 Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
 under isothermal conditions
 Sample: SA1_9
;
_database_code_amcsd 0017712
_chemical_compound_source 'Mt. Vulture, Potenza, Italy'
_chemical_formula_sum 'K.85 Na.07 Ba.05 (Mg2.224 Fe.776) (Si2.63 Al1.37) O11.84 F.16 H1.34'
_cell_length_a 5.3379
_cell_length_b 9.2414
_cell_length_c 10.2311
_cell_angle_alpha 90
_cell_angle_beta 100.023
_cell_angle_gamma 90
_cell_volume 496.994
_exptl_crystal_density_diffrn      2.965
_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   0.85000   0.03020
Na   0.00000   0.50000   0.00000   0.07000   0.03020
Ba   0.00000   0.50000   0.00000   0.05000   0.03020
Mg1   0.00000   0.00000   0.50000   0.75460   0.01100
Fe1   0.00000   0.00000   0.50000   0.24540   0.01100
Mg2   0.00000   0.33691   0.50000   0.73460   0.01220
Fe2   0.00000   0.33691   0.50000   0.26540   0.01220
Si   0.07481   0.16700   0.22560   0.65750   0.01030
Al   0.07481   0.16700   0.22560   0.34250   0.01030
O1   0.32930   0.22610   0.16840   1.00000   0.02020
O2   0.00710   0.00000   0.16920   1.00000   0.02020
O3   0.13070   0.16860   0.39230   1.00000   0.01270
O-H4   0.13230   0.50000   0.39840   0.67000   0.01320
O4   0.13230   0.50000   0.39840   0.25000   0.01320
F4   0.13230   0.50000   0.39840   0.08000   0.01320
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
K 0.02920 0.02750 0.03400 0.00000 -0.00630 0.00000
Na 0.02920 0.02750 0.03400 0.00000 -0.00630 0.00000
Ba 0.02920 0.02750 0.03400 0.00000 -0.00630 0.00000
Mg1 0.00910 0.00760 0.01720 0.00000 -0.00450 0.00000
Fe1 0.00910 0.00760 0.01720 0.00000 -0.00450 0.00000
Mg2 0.00790 0.01250 0.01610 0.00000 -0.00210 0.00000
Fe2 0.00790 0.01250 0.01610 0.00000 -0.00210 0.00000
Si 0.01010 0.00890 0.01230 -0.00020 -0.00260 -0.00010
Al 0.01010 0.00890 0.01230 -0.00020 -0.00260 -0.00010
O1 0.01980 0.02390 0.01720 -0.00480 -0.00420 -0.00240
O2 0.02800 0.01340 0.01800 0.00000 -0.00140 0.00000
O3 0.01060 0.01260 0.01480 -0.00040 -0.00200 -0.00140
O-H4 0.01470 0.01140 0.01400 0.00000 -0.00290 0.00000
O4 0.01470 0.01140 0.01400 0.00000 -0.00290 0.00000
F4 0.01470 0.01140 0.01400 0.00000 -0.00290 0.00000