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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000158.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_9000158
loop_
_publ_author_name
'Lister, J. S.'
'Bailey, S. W.'
_publ_section_title
;
 Chlorite polytypism: IV. Regular two-layer structures
 refined structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1614
_journal_page_last               1631
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'H4 Mg3 O9 Si2'
_chemical_name_mineral           Chlorite
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'C 1'
_space_group_name_H-M_alt        'C 1'
_symmetry_space_group_name_H-M   'C 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.335
_cell_length_b                   9.240
_cell_length_c                   28.735
_cell_volume                     1416.503
_database_code_amcsd             0000162
_exptl_crystal_density_diffrn    2.599
_cod_original_formula_sum        'Mg3 Si2 O9 H4'
_cod_database_code               9000158
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1 0.00000 0.00000 0.00000
Mg2 0.00700 0.32900 0.00200
Mg3 0.98700 0.66000 0.99600
Mg4 0.16400 0.17000 0.25000
Mg5 0.18000 0.50200 0.25000
Mg6 0.17600 0.83200 0.25000
Mg7 0.02100 0.99200 0.49800
Mg8 0.98400 0.32900 0.49600
Mg9 0.01500 0.65600 0.49700
Mg10 0.33800 0.00200 0.75000
Mg11 0.34500 0.33500 0.75000
Mg12 0.34800 0.66800 0.75000
Si1 0.33600 0.33800 0.15200
Si2 0.33900 0.67200 0.15400
Si3 0.00400 0.00100 0.34800
Si4 0.00600 0.67100 0.34400
Si5 0.17000 0.16700 0.65600
Si6 0.17000 0.83700 0.65300
Si7 0.99200 0.00500 0.84400
Si8 0.99200 0.67100 0.84500
O1 0.09800 0.76000 0.13200
O2 0.59000 0.73000 0.13800
O3 0.32200 0.51200 0.13800
O4 0.33300 0.33300 0.21400
O5 0.33300 0.66700 0.21400
O6 0.21500 0.57000 0.37100
O7 0.73900 0.62000 0.35800
O8 0.51400 0.31600 0.36900
O9 0.00000 0.00000 0.28600
O10 0.00000 0.66700 0.28600
O11 0.41000 0.73200 0.64000
O12 0.91400 0.75800 0.63400
O13 0.67800 0.50800 0.64000
O14 0.16700 0.16700 0.71400
O15 0.16700 0.83300 0.71400
O16 0.27800 0.62100 0.85900
O17 0.77800 0.57100 0.87200
O18 0.45000 0.32800 0.86700
O19 0.00000 0.00000 0.78600
O20 0.00000 0.66700 0.78600
O-H1 0.38600 0.00200 0.96700
O-H2 0.36600 0.34700 0.96700
O-H3 0.37800 0.66700 0.96700
O-H4 0.17200 0.15500 0.03400
O-H5 0.15600 0.50400 0.03400
O-H6 0.15400 0.82600 0.03400
O-H7 0.33300 0.00000 0.21400
O-H8 0.00000 0.33300 0.28600
O-H9 0.16800 0.16700 0.46700
O-H10 0.14000 0.50500 0.46700
O-H11 0.16600 0.84300 0.46700
O-H12 0.36300 0.00200 0.53400
O-H13 0.37100 0.32700 0.53400
O-H14 0.38400 0.64800 0.53400
O-H15 0.16700 0.50000 0.71400
O-H16 0.00000 0.33300 0.78600