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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015326.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_9015326
loop_
_publ_author_name
'Ma, C.'
'Connolly, H. C.'
'Beckett, J. R.'
'Tschauner, O.'
'Rossman, G. R.'
'Kampf, A. R.'
'Zega, T. J.'
'Sweeney Smith, S. A.'
'Schrader, D. L.'
_publ_section_title
;
 Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1199
_journal_page_last               1206
_journal_paper_doi               10.2138/am.2011.3755
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source
'Northwest Africa 1934 CV3 carbonaceous chondrite'
_chemical_formula_sum            'Al7 Ca6.66 Cl1.11 O16'
_chemical_name_mineral           Brearleyite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.98
_cell_length_b                   11.98
_cell_length_c                   11.98
_cell_formula_units_Z            4
_cell_volume                     1719.374
_database_code_amcsd             0018484
_exptl_crystal_density_diffrn    2.902
_cod_original_formula_sum        'Ca6.66 Al7 O16 Cl1.11'
_cod_database_code               9015326
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-z,x,-y
-z,1/2+x,1/2-y
1/2-y,z,-x
-y,1/2+z,1/2-x
1/2-x,y,-z
-x,1/2+y,1/2-z
1/4+x,3/4-z,1/4-y
3/4+x,1/4-z,3/4-y
1/4+z,3/4-y,1/4-x
3/4+z,1/4-y,3/4-x
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4+x,1/4+z,1/4+y
3/4+x,3/4+z,3/4+y
1/4+z,1/4+y,1/4+x
3/4+z,3/4+y,3/4+x
1/4+y,1/4+x,1/4+z
3/4+y,3/4+x,3/4+z
-z,1/2-x,y
1/2-z,-x,1/2+y
-y,1/2-z,x
1/2-y,-z,1/2+x
-x,1/2-y,z
1/2-x,-y,1/2+z
1/2+z,1/2-x,-y
+z,-x,1/2-y
1/2+y,1/2-z,-x
+y,-z,1/2-x
1/2+x,1/2-y,-z
+x,-y,1/2-z
3/4-x,3/4+z,1/4-y
1/4-x,1/4+z,3/4-y
3/4-z,3/4+y,1/4-x
1/4-z,1/4+y,3/4-x
3/4-y,3/4+x,1/4-z
1/4-y,1/4+x,3/4-z
3/4-x,1/4-z,1/4+y
1/4-x,3/4-z,3/4+y
3/4-z,1/4-y,1/4+x
1/4-z,3/4-y,3/4+x
3/4-y,1/4-x,1/4+z
1/4-y,3/4-x,3/4+z
z,x,y
1/2+z,1/2+x,1/2+y
y,z,x
1/2+y,1/2+z,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 0.61500 0.00000 0.25000 0.77000
Ca2 0.55500 0.00000 0.25000 0.34000
Al1 0.01300 0.01300 0.01300 1.00000
Al2 0.87500 0.00000 0.25000 1.00000
O1 0.79200 0.09500 0.30000 1.00000
O2 0.17000 0.17000 0.17000 1.00000
Cl 0.37500 0.00000 0.25000 0.37000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018484
