The material described by Sr2MgMoCuO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Sr(1), one Mg(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Sr(1), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Mo(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OSr2CuMo tetrahedra. is represented by the CIF card [CIF]
data_Sr2MgCuMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.014
_cell_length_b   7.065
_cell_length_c   5.948
_cell_angle_alpha   121.836
_cell_angle_beta   122.042
_cell_angle_gamma   97.286
_symmetry_Int_Tables_number   1
_cell_volume   175.196
_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
  Sr  Sr0  1  0.821  0.187  0.508  1.0
  Sr  Sr1  1  0.179  0.813  0.492  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.104  0.360  0.154  1.0
  O  O6  1  0.896  0.640  0.846  1.0
  O  O7  1  0.655  0.912  0.856  1.0
  O  O8  1  0.345  0.088  0.144  1.0
  O  O9  1  0.190  0.188  0.532  1.0
  O  O10  1  0.810  0.812  0.468  1.0
[/CIF]
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The material described by Sr2MgMoCuO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Sr(1), one Mg(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Sr(1), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Mo(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OSr2CuMo tetrahedra. is represented by the CIF card [CIF]
data_Sr2MgCuMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.014
_cell_length_b   7.065
_cell_length_c   5.948
_cell_angle_alpha   121.836
_cell_angle_beta   122.042
_cell_angle_gamma   97.286
_symmetry_Int_Tables_number   1
_cell_volume   175.196
_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
  Sr  Sr0  1  0.821  0.187  0.508  1.0
  Sr  Sr1  1  0.179  0.813  0.492  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.104  0.360  0.154  1.0
  O  O6  1  0.896  0.640  0.846  1.0
  O  O7  1  0.655  0.912  0.856  1.0
  O  O8  1  0.345  0.088  0.144  1.0
  O  O9  1  0.190  0.188  0.532  1.0
  O  O10  1  0.810  0.812  0.468  1.0
[/CIF]
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