The crystal structure described by MgCd3(CO3)4 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to six equivalent O(2) atoms to form corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second Cd site, Cd(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CdO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra and corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cd(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd3(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.159
_cell_length_b   11.159
_cell_length_c   11.159
_cell_angle_alpha   25.571
_cell_angle_beta   25.571
_cell_angle_gamma   25.571
_symmetry_Int_Tables_number   1
_cell_volume   227.921
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.754  0.754  0.754  1.0
  Cd  Cd3  1  0.246  0.246  0.246  1.0
  C  C4  1  0.871  0.871  0.871  1.0
  C  C5  1  0.376  0.376  0.376  1.0
  C  C6  1  0.129  0.129  0.129  1.0
  C  C7  1  0.624  0.624  0.624  1.0
  O  O8  1  0.838  0.150  0.626  1.0
  O  O9  1  0.381  0.636  0.111  1.0
  O  O10  1  0.626  0.838  0.150  1.0
  O  O11  1  0.111  0.381  0.636  1.0
  O  O12  1  0.150  0.626  0.838  1.0
  O  O13  1  0.636  0.111  0.381  1.0
  O  O14  1  0.374  0.162  0.850  1.0
  O  O15  1  0.889  0.619  0.364  1.0
  O  O16  1  0.850  0.374  0.162  1.0
  O  O17  1  0.364  0.889  0.619  1.0
  O  O18  1  0.162  0.850  0.374  1.0
  O  O19  1  0.619  0.364  0.889  1.0
[/CIF]
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The crystal structure described by MgCd3(CO3)4 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to six equivalent O(2) atoms to form corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second Cd site, Cd(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CdO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra and corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cd(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd3(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.159
_cell_length_b   11.159
_cell_length_c   11.159
_cell_angle_alpha   25.571
_cell_angle_beta   25.571
_cell_angle_gamma   25.571
_symmetry_Int_Tables_number   1
_cell_volume   227.921
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.754  0.754  0.754  1.0
  Cd  Cd3  1  0.246  0.246  0.246  1.0
  C  C4  1  0.871  0.871  0.871  1.0
  C  C5  1  0.376  0.376  0.376  1.0
  C  C6  1  0.129  0.129  0.129  1.0
  C  C7  1  0.624  0.624  0.624  1.0
  O  O8  1  0.838  0.150  0.626  1.0
  O  O9  1  0.381  0.636  0.111  1.0
  O  O10  1  0.626  0.838  0.150  1.0
  O  O11  1  0.111  0.381  0.636  1.0
  O  O12  1  0.150  0.626  0.838  1.0
  O  O13  1  0.636  0.111  0.381  1.0
  O  O14  1  0.374  0.162  0.850  1.0
  O  O15  1  0.889  0.619  0.364  1.0
  O  O16  1  0.850  0.374  0.162  1.0
  O  O17  1  0.364  0.889  0.619  1.0
  O  O18  1  0.162  0.850  0.374  1.0
  O  O19  1  0.619  0.364  0.889  1.0
[/CIF]
.