#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/95/9009560.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_9009560
loop_
_publ_author_name
'Sokolova, E. V.'
'Rybakov, V. B.'
'Pautov, L. A.'
'Pushcharovsky D Yu'
_publ_section_title
;
 Structural changes in tsaregorodtsevite
 Note: T = 970 C
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              309
_journal_page_last               312
_journal_volume                  332
_journal_year                    1993
_chemical_formula_sum            'C8 Al N O12 Si5'
_chemical_name_mineral           Tsaregorodtsevite
_space_group_IT_number           211
_symmetry_space_group_name_Hall  'I 4 2 3'
_symmetry_space_group_name_H-M   'I 4 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.817
_cell_length_b                   8.817
_cell_length_c                   8.817
_cell_formula_units_Z            2
_cell_volume                     685.429
_database_code_amcsd             0012490
_diffrn_ambient_temperature      1243.15
_exptl_crystal_density_diffrn    2.275
_cod_original_formula_sum        'N C8 (Si5 Al) O12'
_cod_database_code               9009560
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+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
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,z,y
1/2-x,1/2+z,1/2+y
-z,y,x
1/2-z,1/2+y,1/2+x
-y,x,z
1/2-y,1/2+x,1/2+z
-x,-z,-y
1/2-x,1/2-z,1/2-y
-z,-y,-x
1/2-z,1/2-y,1/2-x
-y,-x,-z
1/2-y,1/2-x,1/2-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
-x,-y,z
1/2-x,1/2-y,1/2+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
x,-y,-z
1/2+x,1/2-y,1/2-z
x,-z,y
1/2+x,1/2-z,1/2+y
z,-y,x
1/2+z,1/2-y,1/2+x
y,-x,z
1/2+y,1/2-x,1/2+z
x,z,-y
1/2+x,1/2+z,1/2-y
z,y,-x
1/2+z,1/2+y,1/2-x
y,x,-z
1/2+y,1/2+x,1/2-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
_atom_site_U_iso_or_equiv
N 0.00000 0.00000 0.00000 1.00000 ?
C 0.09000 0.09000 0.09000 1.00000 ?
Si 0.25000 0.50000 0.00000 0.83333 0.05573
Al 0.25000 0.50000 0.00000 0.16667 0.05573
O 0.00000 0.35580 0.35580 1.00000 0.09879
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012490