#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/35/9003508.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_9003508
loop_
_publ_author_name
'Antao, S. M.'
'Mulder, W. H.'
'Hassan, I.'
'Crichton, W. A.'
'Parise, J. B.'
_publ_section_title
;
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 296 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1142
_journal_page_last               1147
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'C2 Ca Mg O6'
_chemical_name_mineral           Dolomite
_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                   4.8072
_cell_length_b                   4.8072
_cell_length_c                   16.0048
_cell_formula_units_Z            3
_cell_volume                     320.306
_database_code_amcsd             0003598
_diffrn_ambient_pressure         3e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    2.868
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ca Mg C2 O6'
_cod_database_code               9003508
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.00000 0.00000 0.00000 0.03780
Mg 0.00000 0.00000 0.50000 0.03780
C 0.00000 0.00000 0.24220 0.03800
O 0.24700 -0.03800 0.24300 0.04830
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0003598
