#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000132.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_9000132
loop_
_publ_author_name
'Shirozu H'
'Bailey S W'
_publ_section_title
;
 Chlorite polytypism: III. Crystal structure of an orthohexagonal iron chlorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              868
_journal_page_last               885
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'Al1.305 Fe1.71 H4 Mg0.645 O9 Si1.34'
_[local]_cod_chemical_formula_sum_orig 'Fe1.71 Mg.645 Al1.305 Si1.34 O9 H4'
_chemical_name_mineral           Greenalite
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.0
_cell_angle_gamma                90
_cell_length_a                   5.390
_cell_length_b                   9.336
_cell_length_c                   14.166
_cell_volume                     712.848
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_U_iso_or_equiv
Fe1 0.00000 0.00000 0.00000 0.67000 ?
Mg1 0.00000 0.00000 0.00000 0.16500 ?
Al1 0.00000 0.00000 0.00000 0.16500 ?
Fe2 0.00000 0.33333 0.00000 0.67000 ?
Mg2 0.00000 0.33333 0.00000 0.16500 ?
Al2 0.00000 0.33333 0.00000 0.16500 ?
Fe3 0.00000 0.00000 0.50000 0.47000 ?
Mg3 0.00000 0.00000 0.50000 0.26500 ?
Al3 0.00000 0.00000 0.50000 0.26500 ?
Fe4 0.00000 0.33333 0.50000 0.47000 ?
Mg4 0.00000 0.33333 0.50000 0.26500 ?
Al4 0.00000 0.33333 0.50000 0.26500 ?
Si 0.33280 0.33333 0.19490 0.67000 0.01798
Al 0.33280 0.33333 0.19490 0.33000 0.01798
O1 0.33490 0.33333 0.07700 1.00000 0.02394
O-H1 0.33490 0.00000 0.07700 1.00000 0.02394
O2 0.09400 0.23600 0.23600 1.00000 0.02698
O3 0.31000 0.50000 0.23600 1.00000 0.01912
O-H2 0.16560 0.16667 0.43030 1.00000 0.03268
O-H3 0.16560 0.50000 0.43030 1.00000 0.03268
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
Fe1 0.01089 0.01545 0.02948 -0.00510 -0.00309 0.00134
Mg1 0.01089 0.01545 0.02948 -0.00510 -0.00309 0.00134
Al1 0.01089 0.01545 0.02948 -0.00510 -0.00309 0.00134
Fe2 0.01089 0.01545 0.02948 -0.00510 -0.00309 0.00134
Mg2 0.01089 0.01545 0.02948 -0.00510 -0.00309 0.00134
Al2 0.01089 0.01545 0.02948 -0.00510 -0.00309 0.00134
Fe3 0.01207 0.01192 0.02948 -0.00459 -0.00387 -0.00067
Mg3 0.01207 0.01192 0.02948 -0.00459 -0.00387 -0.00067
Al3 0.01207 0.01192 0.02948 -0.00459 -0.00387 -0.00067
Fe4 0.01207 0.01192 0.02948 -0.00459 -0.00387 -0.00067
Mg4 0.01207 0.01192 0.02948 -0.00459 -0.00387 -0.00067
Al4 0.01207 0.01192 0.02948 -0.00459 -0.00387 -0.00067