#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000302.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_9000302
loop_
_publ_author_name
'McCauley J W'
'Newnham R E'
'Gibbs G V'
_publ_section_title
;
 Crystal structure analysis of synthetic fluorophlogopite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              249
_journal_page_last               254
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al F2 K Mg3 O10 Si3'
_[local]_cod_chemical_formula_sum_orig 'K Mg3 (Al Si3) O10 F2'
_chemical_name_mineral           Phlogopite
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.07
_cell_angle_gamma                90
_cell_length_a                   5.308
_cell_length_b                   9.183
_cell_length_c                   10.139
_cell_volume                     486.596
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 0.00000 0.00000 1.00000
Mg1 0.00000 0.50000 0.50000 1.00000
Mg2 0.00000 0.83060 0.50000 1.00000
Al 0.57510 0.16630 0.22450 0.25000
Si 0.57510 0.16630 0.22450 0.75000
O1 0.82080 0.23470 0.16820 1.00000
O2 0.52740 0.00000 0.16780 1.00000
O3 0.62910 0.16610 0.38960 1.00000
F1 0.13270 0.00000 0.40170 1.00000
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 0.03722 0.03204 0.02625 0.00000 0.00423 0.00000
Mg1 0.01010 0.00470 0.00252 0.00024 0.00026 0.00000
Mg2 0.00775 0.00897 0.00707 0.00000 0.00317 0.00000
Al 0.00969 0.00769 0.01161 0.00002 0.00159 0.00093
Si 0.00969 0.00769 0.01161 0.00002 0.00159 0.00093
O1 0.01605 0.03247 0.01111 -0.00088 0.00003 -0.00464
O2 0.02408 0.01666 0.01060 0.00000 -0.00026 0.00000
O3 0.00858 0.00769 0.00707 0.00195 0.00238 -0.00093
F1 0.00941 0.00897 0.01616 0.00000 0.00264 0.00000