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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/9/00/44/9004428.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_9004428
loop_
_publ_author_name
'McDonald, A. M.'
_publ_section_title
;
 The crystal structure of sabinaite, Na4Zr2TiO4(CO3)4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              811
_journal_page_last               815
_journal_volume                  34
_journal_year                    1996
_chemical_compound_source        'Mont St-Hilaire, Quebec, Canada'
_chemical_formula_sum            'C4 Na4 O16 Ti Zr2'
_chemical_name_mineral           Sabinaite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.14
_cell_angle_gamma                90
_cell_length_a                   10.196
_cell_length_b                   6.616
_cell_length_c                   17.958
_cell_formula_units_Z            4
_cell_volume                     1208.227
_database_code_amcsd             0005502
_exptl_crystal_density_diffrn    3.443
_cod_original_formula_sum        'Na4 Zr2 Ti C4 O16'
_cod_database_code               9004428
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,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1 0.89710 0.55930 0.41840
Na2 0.87210 0.08740 0.43350
Zr 0.69160 0.31230 0.24780
Ti 0.00000 0.30790 0.25000
C1 0.14990 0.35120 0.39960
C2 0.59420 0.33530 0.38340
O1 0.03740 0.30730 0.36430
O2 0.71950 0.33160 0.37230
O3 0.13600 0.50340 0.24000
O4 0.86380 0.12070 0.26300
O5 0.15470 0.43060 0.46240
O6 0.51950 0.30910 0.32150
O7 0.25930 0.31590 0.36730
O8 0.54880 0.35680 0.44500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005502
