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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/57/9005783.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_9005783
loop_
_publ_author_name
'Armbruster, T.'
_publ_section_title
;
 Ar, N2, CO2 in the structural cavities of cordierite,
 an optical and X-ray single-crystal study
 Sample: White Well Ar
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              233
_journal_page_last               245
_journal_paper_doi               10.1007/BF00311293
_journal_volume                  12
_journal_year                    1985
_chemical_formula_sum
'Al4 Ar0.72 Fe0.09 Mg1.91 Mn0.01 Na0.05 O18 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.069
_cell_length_b                   9.718
_cell_length_c                   9.355
_cell_formula_units_Z            4
_cell_volume                     1551.775
_database_code_amcsd             0007365
_exptl_crystal_density_diffrn    2.646
_cod_original_formula_sum        'O18 Al4 Si5 Mg1.91 Fe.09 Mn.01 Na.05 Ar.72'
_cod_database_code               9005783
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,1/2+z
1/2-x,1/2+y,1/2+z
x,-y,1/2-z
1/2+x,1/2-y,1/2-z
x,y,-z
1/2+x,1/2+y,-z
-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
O11 0.24705 -0.10287 0.35888 1.00000
O16 0.06241 -0.41625 0.34866 1.00000
O13 -0.17361 -0.31026 0.35840 1.00000
O26 0.04355 -0.25090 0.00000 1.00000
O21 0.12229 0.18525 0.00000 1.00000
O23 0.16385 -0.07954 0.00000 1.00000
AlT11 0.25000 0.25000 0.24983 1.00000
SiT16 0.00000 0.50000 0.25000 1.00000
SiT21 0.19233 0.07803 0.00000 1.00000
SiT23 -0.13530 0.23787 0.00000 1.00000
AlT26 0.05080 0.30851 0.00000 1.00000
MgM 0.33733 0.00000 0.25000 0.95500
FeM 0.33733 0.00000 0.25000 0.04500
MnM 0.33733 0.00000 0.25000 0.00500
NaChO 0.00000 0.00000 0.25000 0.05000
ArCh1/4 0.00000 0.00000 0.25000 0.72000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007365
