#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/14/9001415.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_9001415
loop_
_publ_author_name
'Ross, N. L.'
'Reeder, R. J.'
_publ_section_title
;
 High-pressure structural study of dolomite and ankerite
 P = 0.00 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              412
_journal_page_last               421
_journal_volume                  77
_journal_year                    1992
_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                   4.8064
_cell_length_b                   4.8064
_cell_length_c                   16.006
_cell_formula_units_Z            3
_cell_volume                     320.224
_database_code_amcsd             0001453
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    2.869
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ca Mg C2 O6'
_cod_database_code               9001415
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
CaA 0.00000 0.00000 0.00000 0.00899
MgB 0.00000 0.00000 0.50000 0.00633
C 0.00000 0.00000 0.24310 0.00925
O 0.24820 -0.03570 0.24400 0.01064
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001453
