The crystal structure described by BaMg(CO3)2 crystallizes in the trigonal R-3c space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra and edges with six equivalent Mg(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share edges with six equivalent Ba(1)O12 cuboctahedra. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.586
_cell_length_b   11.586
_cell_length_c   11.586
_cell_angle_alpha   25.398
_cell_angle_beta   25.398
_cell_angle_gamma   25.398
_symmetry_Int_Tables_number   1
_cell_volume   251.834
_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  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.370  0.370  0.370  1.0
  C  C5  1  0.870  0.870  0.870  1.0
  C  C6  1  0.630  0.630  0.630  1.0
  C  C7  1  0.130  0.130  0.130  1.0
  O  O8  1  0.254  0.663  0.196  1.0
  O  O9  1  0.196  0.254  0.663  1.0
  O  O10  1  0.663  0.196  0.254  1.0
  O  O11  1  0.696  0.163  0.754  1.0
  O  O12  1  0.754  0.696  0.163  1.0
  O  O13  1  0.163  0.754  0.696  1.0
  O  O14  1  0.746  0.337  0.804  1.0
  O  O15  1  0.804  0.746  0.337  1.0
  O  O16  1  0.337  0.804  0.746  1.0
  O  O17  1  0.304  0.837  0.246  1.0
  O  O18  1  0.246  0.304  0.837  1.0
  O  O19  1  0.837  0.246  0.304  1.0
[/CIF]
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The crystal structure described by BaMg(CO3)2 crystallizes in the trigonal R-3c space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra and edges with six equivalent Mg(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share edges with six equivalent Ba(1)O12 cuboctahedra. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.586
_cell_length_b   11.586
_cell_length_c   11.586
_cell_angle_alpha   25.398
_cell_angle_beta   25.398
_cell_angle_gamma   25.398
_symmetry_Int_Tables_number   1
_cell_volume   251.834
_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  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.370  0.370  0.370  1.0
  C  C5  1  0.870  0.870  0.870  1.0
  C  C6  1  0.630  0.630  0.630  1.0
  C  C7  1  0.130  0.130  0.130  1.0
  O  O8  1  0.254  0.663  0.196  1.0
  O  O9  1  0.196  0.254  0.663  1.0
  O  O10  1  0.663  0.196  0.254  1.0
  O  O11  1  0.696  0.163  0.754  1.0
  O  O12  1  0.754  0.696  0.163  1.0
  O  O13  1  0.163  0.754  0.696  1.0
  O  O14  1  0.746  0.337  0.804  1.0
  O  O15  1  0.804  0.746  0.337  1.0
  O  O16  1  0.337  0.804  0.746  1.0
  O  O17  1  0.304  0.837  0.246  1.0
  O  O18  1  0.246  0.304  0.837  1.0
  O  O19  1  0.837  0.246  0.304  1.0
[/CIF]
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