The material described by BaCO3 is Calcite-like structured and crystallizes in the trigonal R32 space group. Ba(1) is bonded to six equivalent O(1) atoms to form distorted corner-sharing BaO6 pentagonal pyramids. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one C(1) atom. is represented by the CIF file [CIF]
data_BaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.681
_cell_length_b   4.681
_cell_length_c   4.681
_cell_angle_alpha   71.044
_cell_angle_beta   71.044
_cell_angle_gamma   71.044
_symmetry_Int_Tables_number   1
_cell_volume   88.928
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  C  C1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.761  0.239  0.000  1.0
  O  O3  1  0.000  0.761  0.239  1.0
  O  O4  1  0.239  0.000  0.761  1.0
[/CIF]
.
The material described by BaCO3 is Calcite-like structured and crystallizes in the trigonal R32 space group. Ba(1) is bonded to six equivalent O(1) atoms to form distorted corner-sharing BaO6 pentagonal pyramids. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one C(1) atom. is represented by the CIF file [CIF]
data_BaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.681
_cell_length_b   4.681
_cell_length_c   4.681
_cell_angle_alpha   71.044
_cell_angle_beta   71.044
_cell_angle_gamma   71.044
_symmetry_Int_Tables_number   1
_cell_volume   88.928
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  C  C1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.761  0.239  0.000  1.0
  O  O3  1  0.000  0.761  0.239  1.0
  O  O4  1  0.239  0.000  0.761  1.0
[/CIF]
.