The crystal structure described by CaCO3 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent C(1) and six equivalent O(1) atoms. C(1) is bonded in a single-bond geometry to two equivalent Ca(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and one O(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_CaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.918
_cell_length_b   4.918
_cell_length_c   5.474
_cell_angle_alpha   71.717
_cell_angle_beta   71.717
_cell_angle_gamma   79.710
_symmetry_Int_Tables_number   1
_cell_volume   118.880
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.000  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.670  0.330  0.750  1.0
  C  C3  1  0.330  0.670  0.250  1.0
  O  O4  1  0.949  0.577  0.882  1.0
  O  O5  1  0.490  0.510  0.750  1.0
  O  O6  1  0.423  0.051  0.618  1.0
  O  O7  1  0.051  0.423  0.118  1.0
  O  O8  1  0.510  0.490  0.250  1.0
  O  O9  1  0.577  0.949  0.382  1.0
[/CIF]
.
The crystal structure described by CaCO3 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent C(1) and six equivalent O(1) atoms. C(1) is bonded in a single-bond geometry to two equivalent Ca(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and one O(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_CaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.918
_cell_length_b   4.918
_cell_length_c   5.474
_cell_angle_alpha   71.717
_cell_angle_beta   71.717
_cell_angle_gamma   79.710
_symmetry_Int_Tables_number   1
_cell_volume   118.880
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.000  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.670  0.330  0.750  1.0
  C  C3  1  0.330  0.670  0.250  1.0
  O  O4  1  0.949  0.577  0.882  1.0
  O  O5  1  0.490  0.510  0.750  1.0
  O  O6  1  0.423  0.051  0.618  1.0
  O  O7  1  0.051  0.423  0.118  1.0
  O  O8  1  0.510  0.490  0.250  1.0
  O  O9  1  0.577  0.949  0.382  1.0
[/CIF]
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