#------------------------------------------------------------------------------
#$Date: 2008-03-04 19:28:24 +0200 (Tue, 04 Mar 2008) $
#$Revision: 225 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004522.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_9004522
_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
 Note: untreated, room temperature, Fe-rich phlogopite
 Locality: Silver Crater mine, Ontario, Canada
;
_chemical_formula_sum 
'(K.92 Na.08) (Mg1.62 Fe1.23 Ti.09 Mn.06) (Si2.98 Al1.02)'
_cell_length_a 5.3346
_cell_length_b 9.2417
_cell_length_c 10.182
_cell_angle_alpha 90
_cell_angle_beta 100.26
_cell_angle_gamma 90
_cell_volume 493.954
_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
_atom_site_Uiso_or_equiv
K   0.00000   0.50000   0.00000   0.92000   0.04820
Na   0.00000   0.50000   0.00000   0.08000   0.04820
Mg1   0.00000   0.00000   0.50000   0.54000   0.02050
Fe1   0.00000   0.00000   0.50000   0.41000   0.02050
Ti1   0.00000   0.00000   0.50000   0.03000   0.02050
Mn1   0.00000   0.00000   0.50000   0.02000   0.02050
Mg2   0.00000   0.33330   0.50000   0.54000   0.02280
Fe2   0.00000   0.33330   0.50000   0.41000   0.02280
Ti2   0.00000   0.33330   0.50000   0.03000   0.02280
Mn2   0.00000   0.33330   0.50000   0.02000   0.02280
Si   0.07440   0.16660   0.22520   0.74500   0.02030
Al   0.07440   0.16660   0.22520   0.25500   0.02030
O1   0.03300   0.00000   0.16680   1.00000   0.02900
O2   0.31540   0.23910   0.16700   1.00000   0.03080
O3   0.13070   0.16680   0.38930   1.00000   0.02220
O-H4   0.12990   0.50000   0.39580   0.53000   0.02700
F4   0.12990   0.50000   0.39580   0.47000   0.02700