The structure described by BaCa(CO3)2 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(4), three equivalent O(2), and four equivalent O(3) atoms. Ca(1) is bonded to one O(4), two equivalent O(3), and four equivalent O(1) atoms to form distorted edge-sharing CaO7 pentagonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), 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 three equivalent Ba(1) and one C(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Ca(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one C(1) atom. is represented by the CIF card [CIF]
data_BaCa(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.634
_cell_length_c   8.258
_cell_angle_alpha   74.049
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.258
_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
  Ba  Ba0  1  0.750  0.286  0.855  1.0
  Ba  Ba1  1  0.250  0.714  0.145  1.0
  Ca  Ca2  1  0.250  0.801  0.622  1.0
  Ca  Ca3  1  0.750  0.199  0.378  1.0
  C  C4  1  0.250  0.252  0.615  1.0
  C  C5  1  0.750  0.748  0.385  1.0
  C  C6  1  0.750  0.751  0.895  1.0
  C  C7  1  0.250  0.249  0.105  1.0
  O  O8  1  0.961  0.847  0.394  1.0
  O  O9  1  0.461  0.153  0.606  1.0
  O  O10  1  0.539  0.847  0.394  1.0
  O  O11  1  0.039  0.153  0.606  1.0
  O  O12  1  0.250  0.140  0.997  1.0
  O  O13  1  0.750  0.860  0.003  1.0
  O  O14  1  0.463  0.310  0.156  1.0
  O  O15  1  0.963  0.690  0.844  1.0
  O  O16  1  0.037  0.310  0.156  1.0
  O  O17  1  0.537  0.690  0.844  1.0
  O  O18  1  0.750  0.566  0.361  1.0
  O  O19  1  0.250  0.434  0.639  1.0
[/CIF]
.
The structure described by BaCa(CO3)2 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(4), three equivalent O(2), and four equivalent O(3) atoms. Ca(1) is bonded to one O(4), two equivalent O(3), and four equivalent O(1) atoms to form distorted edge-sharing CaO7 pentagonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), 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 three equivalent Ba(1) and one C(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Ca(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one C(1) atom. is represented by the CIF card [CIF]
data_BaCa(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.634
_cell_length_c   8.258
_cell_angle_alpha   74.049
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.258
_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
  Ba  Ba0  1  0.750  0.286  0.855  1.0
  Ba  Ba1  1  0.250  0.714  0.145  1.0
  Ca  Ca2  1  0.250  0.801  0.622  1.0
  Ca  Ca3  1  0.750  0.199  0.378  1.0
  C  C4  1  0.250  0.252  0.615  1.0
  C  C5  1  0.750  0.748  0.385  1.0
  C  C6  1  0.750  0.751  0.895  1.0
  C  C7  1  0.250  0.249  0.105  1.0
  O  O8  1  0.961  0.847  0.394  1.0
  O  O9  1  0.461  0.153  0.606  1.0
  O  O10  1  0.539  0.847  0.394  1.0
  O  O11  1  0.039  0.153  0.606  1.0
  O  O12  1  0.250  0.140  0.997  1.0
  O  O13  1  0.750  0.860  0.003  1.0
  O  O14  1  0.463  0.310  0.156  1.0
  O  O15  1  0.963  0.690  0.844  1.0
  O  O16  1  0.037  0.310  0.156  1.0
  O  O17  1  0.537  0.690  0.844  1.0
  O  O18  1  0.750  0.566  0.361  1.0
  O  O19  1  0.250  0.434  0.639  1.0
[/CIF]
.