#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015318.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_9015318
loop_
_publ_author_name
'Prichard, P.'
'Perrault, G.'
_publ_section_title
;
 Structure cristalline de l'ekanite de St-Hilaire, P.Q.
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1994
_journal_page_last               1999
_journal_paper_doi               10.1107/S0567740872005412
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        'Mont St-Hilaire, Quebec, Canada'
_chemical_formula_sum
'Ca0.74 Ce0.03 K0.6 Mg0.04 Mn0.2 Na0.9 O20 Pb0.01 Si8 Th0.88'
_chemical_name_mineral           Steacyite
_space_group_IT_number           124
_symmetry_space_group_name_Hall  '-P 4 2c'
_symmetry_space_group_name_H-M   'P 4/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.58
_cell_length_b                   7.58
_cell_length_c                   14.77
_cell_formula_units_Z            2
_cell_volume                     848.631
_database_code_amcsd             0018511
_exptl_crystal_density_diffrn    3.291
_cod_original_formula_sum
'K.6 Na.9 Ca.74 Mn.2 Mg.04 Th.88 Ce.03 Pb.01 Si8 O20'
_cod_database_code               9015318
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,1/2+z
y,x,1/2-z
y,-x,-z
-y,x,z
x,-y,1/2+z
-x,y,1/2-z
x,y,-z
-x,-y,z
y,x,1/2+z
-y,-x,1/2-z
-y,x,-z
y,-x,z
-x,y,1/2+z
x,-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K 0.00000 0.00000 0.00000 0.60000
Na 0.00000 0.50000 0.25000 0.45000
Ca 0.00000 0.50000 0.25000 0.37000
Mn 0.00000 0.50000 0.25000 0.10000
Mg 0.00000 0.50000 0.25000 0.02000
Th 0.00000 0.00000 0.25000 0.88000
Ce 0.00000 0.00000 0.25000 0.03000
Pb 0.00000 0.00000 0.25000 0.01000
Si 0.26050 0.33600 0.10730 1.00000
O1 0.23050 0.33600 0.00000 1.00000
O2 0.45360 0.25710 0.13270 1.00000
O3 0.10810 0.24710 0.16320 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018511
