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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009293.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_9009293
loop_
_publ_author_name
'Knobloch, D.'
'Pertlik, F.'
'Zemann, J.'
_publ_section_title
;
 Crystal structure refinements of buetschliite and eitelite:
 a contribution to the stereochemistry of trigonal carbonate minerals
 Note: synthetic
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              230
_journal_page_last               236
_journal_volume                  1980
_journal_year                    1980
_chemical_formula_sum            'C2 Mg Na2 O6'
_chemical_name_mineral           Eitelite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.946
_cell_length_b                   4.946
_cell_length_c                   16.422
_cell_formula_units_Z            3
_cell_volume                     347.908
_database_code_amcsd             0014765
_exptl_crystal_density_diffrn    2.725
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Na2 Mg C2 O6'
_cod_database_code               9009293
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.01562 0.01562 0.02596 0.00781 0.00000 0.00000
Mg 0.00911 0.00911 0.00820 0.00455 0.00000 0.00000
C 0.00846 0.00846 0.00683 0.00423 0.00000 0.00000
O 0.01348 0.01738 0.01776 0.01004 0.00249 0.00428
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na 0.00000 0.00000 0.20144
Mg 0.00000 0.00000 0.00000
C 0.00000 0.00000 0.59049
O 0.21004 0.91957 0.58941
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014765
