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data_global
_chemical_name_mineral 'Calcite'
loop_
_publ_author_name
'Graf D L'
_journal_name_full 'American Mineralogist'
_journal_volume 46
_journal_year 1961
_journal_page_first 1283
_journal_page_last 1316
_publ_section_title
;
Crystallographic tables for the rhombohedral carbonates
;
_database_code_amcsd 0000098
_chemical_formula_sum 'Ca C O3'
_cell_length_a 4.9900
_cell_length_b 4.9900
_cell_length_c 17.0615
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 367.916
_exptl_crystal_density_diffrn 2.710
_symmetry_space_group_name_H-M 'R -3 c'
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'
'x,x-y,1/2+z'
'2/3+x,1/3+x-y,5/6+z'
'1/3+x,2/3+x-y,1/6+z'
'y,x,1/2-z'
'2/3+y,1/3+x,5/6-z'
'1/3+y,2/3+x,1/6-z'
'-x+y,y,1/2+z'
'2/3-x+y,1/3+y,5/6+z'
'1/3-x+y,2/3+y,1/6+z'
'-x,-x+y,1/2-z'
'2/3-x,1/3-x+y,5/6-z'
'1/3-x,2/3-x+y,1/6-z'
'-y,-x,1/2+z'
'2/3-y,1/3-x,5/6+z'
'1/3-y,2/3-x,1/6+z'
'x-y,-y,1/2-z'
'2/3+x-y,1/3-y,5/6-z'
'1/3+x-y,2/3-y,1/6-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
Ca 0.00000 0.00000 0.00000
C 0.00000 0.00000 0.25000
O 0.25780 0.00000 0.25000
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