The compound described by Ba2MgMoCoO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. Co(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Mo(1), and one Co(1) atom to form distorted OBa2MgCoMo trigonal bipyramids that share corners with three equivalent O(1)Ba2MgCoMo trigonal bipyramids, corners with six equivalent O(2)Ba4Mo trigonal bipyramids, edges with two equivalent O(2)Ba4Mo trigonal bipyramids, edges with three equivalent O(1)Ba2MgCoMo trigonal bipyramids, and faces with two equivalent O(1)Ba2MgCoMo trigonal bipyramids. In the second O site, O(2) is bonded to four equivalent Ba(1) and one Mo(1) atom to form distorted OBa4Mo trigonal bipyramids that share corners with five equivalent O(2)Ba4Mo trigonal bipyramids, corners with twelve equivalent O(1)Ba2MgCoMo trigonal bipyramids, edges with four equivalent O(1)Ba2MgCoMo trigonal bipyramids, and edges with four equivalent O(2)Ba4Mo trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba2MgCoMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.689
_cell_length_b   6.690
_cell_length_c   5.810
_cell_angle_alpha   64.250
_cell_angle_beta   64.247
_cell_angle_gamma   50.706
_symmetry_Int_Tables_number   1
_cell_volume   176.428
_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  0.818  0.818  0.682  1.0
  Ba  Ba1  1  0.182  0.182  0.318  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Mo  Mo4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.753  0.247  0.765  1.0
  O  O6  1  0.753  0.248  0.235  1.0
  O  O7  1  0.310  0.311  0.689  1.0
  O  O8  1  0.247  0.752  0.765  1.0
  O  O9  1  0.690  0.689  0.311  1.0
  O  O10  1  0.247  0.753  0.235  1.0
[/CIF]
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The compound described by Ba2MgMoCoO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. Co(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Mo(1), and one Co(1) atom to form distorted OBa2MgCoMo trigonal bipyramids that share corners with three equivalent O(1)Ba2MgCoMo trigonal bipyramids, corners with six equivalent O(2)Ba4Mo trigonal bipyramids, edges with two equivalent O(2)Ba4Mo trigonal bipyramids, edges with three equivalent O(1)Ba2MgCoMo trigonal bipyramids, and faces with two equivalent O(1)Ba2MgCoMo trigonal bipyramids. In the second O site, O(2) is bonded to four equivalent Ba(1) and one Mo(1) atom to form distorted OBa4Mo trigonal bipyramids that share corners with five equivalent O(2)Ba4Mo trigonal bipyramids, corners with twelve equivalent O(1)Ba2MgCoMo trigonal bipyramids, edges with four equivalent O(1)Ba2MgCoMo trigonal bipyramids, and edges with four equivalent O(2)Ba4Mo trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba2MgCoMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.689
_cell_length_b   6.690
_cell_length_c   5.810
_cell_angle_alpha   64.250
_cell_angle_beta   64.247
_cell_angle_gamma   50.706
_symmetry_Int_Tables_number   1
_cell_volume   176.428
_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  0.818  0.818  0.682  1.0
  Ba  Ba1  1  0.182  0.182  0.318  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Mo  Mo4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.753  0.247  0.765  1.0
  O  O6  1  0.753  0.248  0.235  1.0
  O  O7  1  0.310  0.311  0.689  1.0
  O  O8  1  0.247  0.752  0.765  1.0
  O  O9  1  0.690  0.689  0.311  1.0
  O  O10  1  0.247  0.753  0.235  1.0
[/CIF]
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