The material described by NaCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. Na(1) is bonded to six equivalent O(1) atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 63°. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.326
_cell_length_b   6.326
_cell_length_c   6.326
_cell_angle_alpha   47.001
_cell_angle_beta   47.000
_cell_angle_gamma   47.000
_symmetry_Int_Tables_number   1
_cell_volume   123.796
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.750  0.750  0.750  1.0
  C  C3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.498  0.750  0.002  1.0
  O  O5  1  0.750  0.002  0.498  1.0
  O  O6  1  0.998  0.502  0.250  1.0
  O  O7  1  0.502  0.250  0.998  1.0
  O  O8  1  0.250  0.998  0.502  1.0
  O  O9  1  0.002  0.498  0.750  1.0
[/CIF]
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The material described by NaCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. Na(1) is bonded to six equivalent O(1) atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 63°. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.326
_cell_length_b   6.326
_cell_length_c   6.326
_cell_angle_alpha   47.001
_cell_angle_beta   47.000
_cell_angle_gamma   47.000
_symmetry_Int_Tables_number   1
_cell_volume   123.796
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.750  0.750  0.750  1.0
  C  C3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.498  0.750  0.002  1.0
  O  O5  1  0.750  0.002  0.498  1.0
  O  O6  1  0.998  0.502  0.250  1.0
  O  O7  1  0.502  0.250  0.998  1.0
  O  O8  1  0.250  0.998  0.502  1.0
  O  O9  1  0.002  0.498  0.750  1.0
[/CIF]
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