The material described by BaMg(CO3)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) 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 two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Mg(1), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one C(1) atom. In the third O site, O(3) 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   5.064
_cell_length_b   5.077
_cell_length_c   11.788
_cell_angle_alpha   102.092
_cell_angle_beta   90.000
_cell_angle_gamma   119.917
_symmetry_Int_Tables_number   1
_cell_volume   254.943
_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  0.227  0.000  0.750  1.0
  Ba  Ba1  1  0.773  0.000  0.250  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.500  1.0
  C  C4  1  0.838  0.229  0.608  1.0
  C  C5  1  0.609  0.771  0.892  1.0
  C  C6  1  0.162  0.771  0.392  1.0
  C  C7  1  0.391  0.229  0.108  1.0
  O  O8  1  0.872  0.637  0.402  1.0
  O  O9  1  0.236  0.363  0.098  1.0
  O  O10  1  0.128  0.363  0.598  1.0
  O  O11  1  0.764  0.637  0.902  1.0
  O  O12  1  0.747  0.063  0.886  1.0
  O  O13  1  0.685  0.937  0.614  1.0
  O  O14  1  0.253  0.937  0.114  1.0
  O  O15  1  0.315  0.063  0.386  1.0
  O  O16  1  0.701  0.391  0.623  1.0
  O  O17  1  0.310  0.609  0.877  1.0
  O  O18  1  0.299  0.609  0.377  1.0
  O  O19  1  0.690  0.391  0.123  1.0
[/CIF]
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The material described by BaMg(CO3)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) 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 two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Mg(1), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one C(1) atom. In the third O site, O(3) 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   5.064
_cell_length_b   5.077
_cell_length_c   11.788
_cell_angle_alpha   102.092
_cell_angle_beta   90.000
_cell_angle_gamma   119.917
_symmetry_Int_Tables_number   1
_cell_volume   254.943
_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  0.227  0.000  0.750  1.0
  Ba  Ba1  1  0.773  0.000  0.250  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.500  1.0
  C  C4  1  0.838  0.229  0.608  1.0
  C  C5  1  0.609  0.771  0.892  1.0
  C  C6  1  0.162  0.771  0.392  1.0
  C  C7  1  0.391  0.229  0.108  1.0
  O  O8  1  0.872  0.637  0.402  1.0
  O  O9  1  0.236  0.363  0.098  1.0
  O  O10  1  0.128  0.363  0.598  1.0
  O  O11  1  0.764  0.637  0.902  1.0
  O  O12  1  0.747  0.063  0.886  1.0
  O  O13  1  0.685  0.937  0.614  1.0
  O  O14  1  0.253  0.937  0.114  1.0
  O  O15  1  0.315  0.063  0.386  1.0
  O  O16  1  0.701  0.391  0.623  1.0
  O  O17  1  0.310  0.609  0.877  1.0
  O  O18  1  0.299  0.609  0.377  1.0
  O  O19  1  0.690  0.391  0.123  1.0
[/CIF]
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