data_global
_chemical_name_mineral 'Aragonite'
loop_
_publ_author_name
'Antao S M'
'Hassan I'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 47 
_journal_year 2009
_journal_page_first 1245
_journal_page_last 1255
_publ_section_title
;
 The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3:
 Linear structural trends
 Note: HRPXRD
;
_database_code_amcsd 0006302
_chemical_compound_source 'Spain'
_chemical_formula_sum 'Ca C O3'
_cell_length_a 4.96174
_cell_length_b 7.96918
_cell_length_c 5.74265
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 227.070
_exptl_crystal_density_diffrn      2.928
_symmetry_space_group_name_H-M 'P m c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.25000   0.41508   0.75953   0.00735
C   0.25000   0.76120  -0.08420   0.01070
O1   0.25000   0.92280  -0.09470   0.01070
O2   0.47430   0.68059  -0.08710   0.01070