#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004514.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_9004514
loop_
_publ_author_name
'Uehara, S.'
_publ_section_title
;
 TEM and XRD study of antigorite superstructures
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1595
_journal_page_last               1605
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum            'H62 Mg48 O147 Si34'
_chemical_name_mineral           Antigorite
_space_group_IT_number           6
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.6
_cell_angle_gamma                90
_cell_length_a                   43.3
_cell_length_b                   9.23
_cell_length_c                   7.27
_cell_volume                     2904.388
_exptl_crystal_density_diffrn    2.593
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_5264'
_[local]_cod_chemical_formula_sum_orig 'Mg48 Si34 (O147 H62)'
_cod_database_code               9004514
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg 0.03100 0.00000 0.51900
Mg 0.03100 0.33333 0.51900
Mg 0.09400 0.16667 0.54800
Mg 0.09400 0.50000 0.54800
Mg 0.15600 0.00000 0.57100
Mg 0.15600 0.33333 0.57100
Mg 0.21900 0.16667 0.58300
Mg 0.21900 0.50000 0.58300
Mg 0.28200 0.00000 0.58300
Mg 0.28200 0.33333 0.58300
Mg 0.34400 0.16667 0.57500
Mg 0.34400 0.50000 0.57500
Mg 0.40700 0.00000 0.56300
Mg 0.40700 0.33333 0.56300
Mg 0.46800 0.16667 0.53300
Mg 0.46800 0.50000 0.53300
Mg 0.53200 0.00000 0.48100
Mg 0.53200 0.33333 0.48100
Mg 0.59400 0.16667 0.45200
Mg 0.59400 0.50000 0.45200
Mg 0.65600 0.00000 0.42900
Mg 0.65600 0.33333 0.42900
Mg 0.71800 0.16667 0.41700
Mg 0.71800 0.50000 0.41700
Mg 0.78100 0.00000 0.41700
Mg 0.78100 0.33333 0.41700
Mg 0.84400 0.16667 0.42500
Mg 0.84400 0.50000 0.42500
Mg 0.90600 0.00000 0.43800
Mg 0.90600 0.33333 0.43800
Mg 0.96900 0.16667 0.46700
Mg 0.96900 0.50000 0.46700
Si 0.05700 0.16667 0.13900
Si 0.11700 0.33333 0.16400
Si 0.17700 0.16667 0.18000
Si 0.23700 0.33333 0.18700
Si 0.29900 0.16667 0.18900
Si 0.35800 0.33333 0.18500
Si 0.41800 0.16667 0.16400
Si 0.47700 0.33333 0.12300
Si 0.52300 0.16667 0.87800
Si 0.58200 0.33333 0.83600
Si 0.64200 0.16667 0.81500
Si 0.70100 0.33333 0.81100
Si 0.76300 0.16667 0.81300
Si 0.82300 0.33333 0.82000
Si 0.88300 0.16667 0.83600
Si 0.94300 0.33333 0.86100
Si 0.99900 0.33333 0.08900
O-H 0.11700 0.00000 0.39100
O-H 0.24000 0.00000 0.41400
O-H 0.36200 0.00000 0.39900
O-H 0.48200 0.00000 0.34800
O-H 0.57800 0.00000 0.61500
O-H 0.69900 0.00000 0.59000
O-H 0.82100 0.00000 0.59300
O-H 0.94400 0.00000 0.63000
O-H 0.99500 0.00000 0.32800
O-H 0.05600 0.50000 0.37000
O-H 0.17900 0.50000 0.40800
O-H 0.30100 0.50000 0.41000
O-H 0.42200 0.50000 0.38500
O-H 0.51800 0.50000 0.65200
O-H 0.63900 0.50000 0.60100
O-H 0.76000 0.50000 0.58600
O-H 0.88300 0.50000 0.60900
O-H 0.07000 0.00000 0.71400
O-H 0.19600 0.00000 0.75000
O-H 0.32400 0.00000 0.74300
O-H 0.45100 0.00000 0.69300
O-H 0.86700 0.00000 0.26700
O-H 0.61300 0.00000 0.27100
O-H 0.74000 0.00000 0.25000
O-H 0.00700 0.16667 0.66700
O-H 0.13300 0.16667 0.73300
O-H 0.26000 0.16667 0.75000
O-H 0.38800 0.16667 0.72900
O-H 0.80400 0.16667 0.25000
O-H 0.54900 0.16667 0.30700
O-H 0.67600 0.16667 0.25900
O-H 0.93000 0.16667 0.28600
O-H 0.07000 0.33333 0.71400
O-H 0.19600 0.33333 0.75000
O-H 0.32400 0.33333 0.74100
O-H 0.45100 0.33333 0.69300
O-H 0.86700 0.33333 0.26700
O-H 0.61300 0.33333 0.27100
O-H 0.74000 0.33333 0.25000
O-H 0.00700 0.50000 0.66700
O-H 0.13300 0.50000 0.73300
O-H 0.26000 0.50000 0.75000
O-H 0.38800 0.50000 0.72900
O-H 0.80400 0.50000 0.25000
O-H 0.54900 0.50000 0.30700
O-H 0.67600 0.50000 0.25900
O-H 0.93000 0.50000 0.28600
O 0.17900 0.16667 0.40800
O 0.05600 0.16667 0.37000
O 0.51800 0.16667 0.65200
O 0.82100 0.33333 0.59300
O 0.57800 0.33333 0.61500
O 0.94400 0.33333 0.63000
O 0.11700 0.33333 0.39100
O 0.99500 0.33333 0.32800
O 0.69900 0.33333 0.59000
O 0.88300 0.16667 0.60900
O 0.36200 0.33333 0.39900
O 0.30100 0.16667 0.41000
O 0.48200 0.33333 0.34800
O 0.24000 0.33333 0.41400
O 0.76000 0.16667 0.58600
O 0.63900 0.16667 0.60100
O 0.42200 0.16667 0.38500
O 0.88500 0.00000 0.90900
O 0.94300 0.50000 0.94500
O 0.05800 0.00000 0.04800
O 0.11700 0.50000 0.07800
O 0.17500 0.00000 0.09600
O 0.23800 0.50000 0.10400
O 0.29700 0.00000 0.10900
O 0.35600 0.50000 0.10000
O 0.41400 0.00000 0.07600
O 0.47200 0.50000 0.03500
O 0.52900 0.00000 0.97000
O 0.58800 0.50000 0.93600
O 0.64700 0.00000 0.91000
O 0.70800 0.50000 0.90000
O 0.76800 0.00000 0.89300
O 0.82700 0.50000 0.89300
O 0.00000 0.50000 0.00000
O 0.08800 0.25000 0.06400
O 0.14700 0.25000 0.09000
O 0.20800 0.25000 0.10000
O 0.26800 0.25000 0.10700
O 0.32700 0.25000 0.10700
O 0.38500 0.25000 0.09100
O 0.44300 0.25000 0.05500
O 0.50000 0.25000 0.00000
O 0.55800 0.25000 0.95200
O 0.61700 0.25000 0.92300
O 0.67800 0.25000 0.90400
O 0.73800 0.25000 0.89600
O 0.79700 0.25000 0.89100
O 0.85600 0.25000 0.90000
O 0.91400 0.25000 0.92400
O 0.97200 0.25000 0.96500
O 0.02900 0.25000 0.03000