#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000111.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_9000111
_chemical_name 'Phlogopite'
loop_
_publ_author_name
'Steinfink H'
_journal_name_full "American Mineralogist"
_journal_volume 47
_journal_year 1962
_journal_page_first 886
_journal_page_last 889
_publ_section_title
;
 Crystal structure of a trioctahedral mica: Phlogopite
;
_chemical_formula_sum '(K.9 Mn.1) Mg3 (Si3 Fe) O12 H2'
_cell_length_a 5.36
_cell_length_b 9.29
_cell_length_c 10.41
_cell_angle_alpha 90
_cell_angle_beta 100.0
_cell_angle_gamma 90
_cell_volume 510.485
_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   0.00000   0.00000   0.90000   0.02812
Mn   0.00000   0.00000   0.00000   0.10000   0.02812
Mg1   0.00000   0.50000   0.50000   1.00000   0.01760
Mg2   0.00000   0.83330   0.50000   1.00000   0.01760
Si   0.57660   0.16790   0.22610   0.75000   0.03065
Fe   0.57660   0.16790   0.22610   0.25000   0.03458
O1   0.83380   0.22290   0.16920   1.00000   0.03534
O2   0.62730   0.16820   0.39000   1.00000   0.03534
O3   0.49630   0.00000   0.17000   1.00000   0.03534
O-H4   0.13540   0.00000   0.39550   1.00000   0.03534