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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001378.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_9001378
loop_
_publ_author_name
'Grice, J. D.'
'Nickel, E. H.'
'Gault, R. A.'
_publ_section_title
;Ashburtonite, a new bicarbonate-silicate mineral from Ashburton Downs,
 Western Australia: Description and structure determination
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1701
_journal_page_last               1707
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'C4 Cl Cu4 O28 Pb4 Si4'
_chemical_name_mineral           Ashburtonite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.234
_cell_length_b                   14.234
_cell_length_c                   6.103
_cell_formula_units_Z            2
_cell_volume                     1236.509
_database_code_amcsd             0001412
_exptl_crystal_density_diffrn    4.638
_cod_original_formula_sum        'Si4 Cu4 Pb4 C4 O28 Cl'
_cod_database_code               9001378
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.11670 0.10640 0.50000
Cu 0.25000 0.25000 0.25000
Pb 0.21321 0.03767 0.00000
C 0.43800 0.85900 0.00000
O1 0.16370 0.14550 0.72450
O2 0.30270 0.18050 0.00000
O3 0.00620 0.13050 0.50000
O4 0.35050 0.86410 0.00000
O5 0.48390 0.85560 0.17820
Cl 0.00000 0.00000 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001412
