The compound described by CaCO3 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ca(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.343
_cell_length_b   4.961
_cell_length_c   5.141
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.770
_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  0.608  0.500  0.000  1.0
  Ca  Ca1  1  0.392  0.000  0.500  1.0
  C  C2  1  0.990  0.000  0.000  1.0
  C  C3  1  0.010  0.500  0.500  1.0
  O  O4  1  0.130  0.229  0.000  1.0
  O  O5  1  0.130  0.771  0.000  1.0
  O  O6  1  0.312  0.500  0.500  1.0
  O  O7  1  0.688  0.000  0.000  1.0
  O  O8  1  0.870  0.271  0.500  1.0
  O  O9  1  0.870  0.729  0.500  1.0
[/CIF]
.
The compound described by CaCO3 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ca(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.343
_cell_length_b   4.961
_cell_length_c   5.141
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.770
_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  0.608  0.500  0.000  1.0
  Ca  Ca1  1  0.392  0.000  0.500  1.0
  C  C2  1  0.990  0.000  0.000  1.0
  C  C3  1  0.010  0.500  0.500  1.0
  O  O4  1  0.130  0.229  0.000  1.0
  O  O5  1  0.130  0.771  0.000  1.0
  O  O6  1  0.312  0.500  0.500  1.0
  O  O7  1  0.688  0.000  0.000  1.0
  O  O8  1  0.870  0.271  0.500  1.0
  O  O9  1  0.870  0.729  0.500  1.0
[/CIF]
.