#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000115.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9000115
loop_
_publ_author_name
'Brown, B. E.'
'Bailey, S. W.'
_publ_section_title
;
 Chlorite polytypism: II. Crystal structure of a one-layer Cr-chlorite
 Note: variety called kammererite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              42
_journal_page_last               61
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum            'Al1.2 Cr0.7 H8 Mg5.1 O18 Si3'
_chemical_name_mineral           Clinochlore
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.0
_cell_angle_beta                 97.08
_cell_angle_gamma                90.0
_cell_length_a                   5.338
_cell_length_b                   9.247
_cell_length_c                   14.435
_cell_volume                     707.086
_exptl_crystal_density_diffrn    2.691
_[local]_cod_chemical_formula_sum_orig 'Mg5.1 Al1.2 Cr.7 Si3 O18 H8'
_cod_database_code               9000115
_amcsd_database_code             AMCSD#0000118
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 0.00000 0.00000 0.00000 1.00000
Mg2 -0.00100 0.33300 0.00200 1.00000
Mg3 0.00300 0.16600 0.50400 1.00000
Mg4 0.00000 0.50000 0.50000 0.10000
Al4 0.00000 0.50000 0.50000 0.20000
Cr4 0.00000 0.50000 0.50000 0.70000
Si1 0.40000 0.00100 0.19100 0.60000
Al1 0.40000 0.00100 0.19100 0.40000
Si2 0.89400 0.16700 0.19100 0.90000
Al2 0.89400 0.16700 0.19100 0.10000
O1 0.36000 -0.00400 0.07500 1.00000
O2 0.86000 0.17100 0.07600 1.00000
O-H1 0.38100 0.33300 0.07400 1.00000
O3 0.13300 0.06500 0.23200 1.00000
O4 0.64500 0.10000 0.23200 1.00000
O5 0.93100 0.32800 0.23400 1.00000
O-H2 0.15400 -0.00200 0.43200 1.00000
O-H3 0.12900 0.33900 0.42800 1.00000
O-H4 0.65300 0.16400 0.42800 1.00000