#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004526.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9004526
_chemical_name 'Phlogopite'
loop_
_publ_author_name
'Russell R L'
'Guggenheim S'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 37
_journal_year 1999
_journal_page_first 711
_journal_page_last 720
_publ_section_title
;
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Sample: T = 450 deg C
 Locality: White Well, Australia
;
_chemical_formula_sum 'K.82 Na.115 Mg2.28 Al1.711 Fe.12 Si2.784 O11.932 F.068 H2
_cell_length_a 5.3331
_cell_length_b 9.2316
_cell_length_c 10.3159
_cell_angle_alpha 90
_cell_angle_beta 100.004
_cell_angle_gamma 90
_cell_volume 500.161
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_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
K   0.00000   0.50000   0.00000   0.82000
Na   0.00000   0.50000   0.00000   0.11500
Mg1   0.00000   0.00000   0.50000   0.76000
Al1   0.00000   0.00000   0.50000   0.16500
Fe1   0.00000   0.00000   0.50000   0.04000
Mg2   0.00000   0.33170   0.50000   0.76000
Al2   0.00000   0.33170   0.50000   0.16500
Fe2   0.00000   0.33170   0.50000   0.04000
Si   0.07680   0.16680   0.22960   0.69600
Al   0.07680   0.16680   0.22960   0.30400
O1   0.01790   0.00000   0.17270   1.00000
O2   0.33730   0.22890   0.17330   1.00000
O3   0.13150   0.16730   0.39330   1.00000
O-H4   0.13200   0.50000   0.39780   0.96600
F4   0.13200   0.50000   0.39780   0.03400