The compound described by Ba2MgMoCrO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Mo(1), one O(2), two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. Mo(1) is bonded in a trigonal planar geometry to one Ba(2), one O(2), and two equivalent O(1) atoms. Cr(1) is bonded in an octahedral geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mo(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Ba2MgCrMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.066
_cell_length_b   6.589
_cell_length_c   6.065
_cell_angle_alpha   63.055
_cell_angle_beta   60.079
_cell_angle_gamma   63.099
_symmetry_Int_Tables_number   1
_cell_volume   179.087
_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  0.191  0.426  0.191  1.0
  Ba  Ba1  1  0.778  0.671  0.777  1.0
  Mg  Mg2  1  0.399  0.805  0.399  1.0
  Cr  Cr3  1  0.995  0.016  0.995  1.0
  Mo  Mo4  1  0.581  0.257  0.581  1.0
  O  O5  1  0.760  0.270  0.209  1.0
  O  O6  1  0.761  0.267  0.761  1.0
  O  O7  1  0.762  0.796  0.221  1.0
  O  O8  1  0.221  0.796  0.762  1.0
  O  O9  1  0.220  0.801  0.220  1.0
  O  O10  1  0.209  0.270  0.760  1.0
[/CIF]
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The compound described by Ba2MgMoCrO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Mo(1), one O(2), two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. Mo(1) is bonded in a trigonal planar geometry to one Ba(2), one O(2), and two equivalent O(1) atoms. Cr(1) is bonded in an octahedral geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mo(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Ba2MgCrMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.066
_cell_length_b   6.589
_cell_length_c   6.065
_cell_angle_alpha   63.055
_cell_angle_beta   60.079
_cell_angle_gamma   63.099
_symmetry_Int_Tables_number   1
_cell_volume   179.087
_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  0.191  0.426  0.191  1.0
  Ba  Ba1  1  0.778  0.671  0.777  1.0
  Mg  Mg2  1  0.399  0.805  0.399  1.0
  Cr  Cr3  1  0.995  0.016  0.995  1.0
  Mo  Mo4  1  0.581  0.257  0.581  1.0
  O  O5  1  0.760  0.270  0.209  1.0
  O  O6  1  0.761  0.267  0.761  1.0
  O  O7  1  0.762  0.796  0.221  1.0
  O  O8  1  0.221  0.796  0.762  1.0
  O  O9  1  0.220  0.801  0.220  1.0
  O  O10  1  0.209  0.270  0.760  1.0
[/CIF]
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