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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/95/9009559.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_9009559
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 = 870 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           97
_symmetry_space_group_name_Hall  'I 4 2'
_symmetry_space_group_name_H-M   'I 4 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.908
_cell_length_b                   8.908
_cell_length_c                   8.925
_cell_volume                     708.221
_diffrn_ambient_temperature      1143.15
_exptl_crystal_density_diffrn    2.202
_cod_original_formula_sum        'N C8 Si5 Al O12'
_cod_database_code               9009559
loop_
_symmetry_equiv_pos_as_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
N 0.00000 0.00000 0.00000 1.00000 ?
C 0.07000 0.10500 0.08800 1.00000 0.05446
Si1 0.24890 0.00000 0.50000 1.00000 0.02470
Si2 0.00000 0.50000 0.25000 0.50000 0.02558
Al2 0.00000 0.50000 0.25000 0.50000 0.02558
O1 0.35390 0.35390 0.00000 1.00000 0.06966
O2 0.35030 -0.01000 0.35380 1.00000 0.06193