The compound described by Sr2MgMoCuO6 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-54°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra and  an edgeedge with one Mg(1)O4 tetrahedra. Cu(1) is bonded in a linear geometry to one O(3) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mo(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Sr(1), one Sr(2), one Mo(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_Sr2MgCuMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.133
_cell_length_b   6.002
_cell_length_c   7.104
_cell_angle_alpha   125.761
_cell_angle_beta   130.877
_cell_angle_gamma   77.441
_symmetry_Int_Tables_number   1
_cell_volume   154.557
_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  0.717  0.228  0.414  1.0
  Sr  Sr1  1  0.182  0.768  0.582  1.0
  Mg  Mg2  1  0.273  0.610  0.149  1.0
  Cu  Cu3  1  0.533  0.346  0.804  1.0
  Mo  Mo4  1  0.974  0.018  0.008  1.0
  O  O5  1  0.073  0.207  0.887  1.0
  O  O6  1  0.961  0.831  0.165  1.0
  O  O7  1  0.723  0.287  0.100  1.0
  O  O8  1  0.256  0.774  0.971  1.0
  O  O9  1  0.325  0.312  0.445  1.0
  O  O10  1  0.627  0.748  0.580  1.0
[/CIF]
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The compound described by Sr2MgMoCuO6 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-54°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra and  an edgeedge with one Mg(1)O4 tetrahedra. Cu(1) is bonded in a linear geometry to one O(3) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mo(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Sr(1), one Sr(2), one Mo(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_Sr2MgCuMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.133
_cell_length_b   6.002
_cell_length_c   7.104
_cell_angle_alpha   125.761
_cell_angle_beta   130.877
_cell_angle_gamma   77.441
_symmetry_Int_Tables_number   1
_cell_volume   154.557
_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  0.717  0.228  0.414  1.0
  Sr  Sr1  1  0.182  0.768  0.582  1.0
  Mg  Mg2  1  0.273  0.610  0.149  1.0
  Cu  Cu3  1  0.533  0.346  0.804  1.0
  Mo  Mo4  1  0.974  0.018  0.008  1.0
  O  O5  1  0.073  0.207  0.887  1.0
  O  O6  1  0.961  0.831  0.165  1.0
  O  O7  1  0.723  0.287  0.100  1.0
  O  O8  1  0.256  0.774  0.971  1.0
  O  O9  1  0.325  0.312  0.445  1.0
  O  O10  1  0.627  0.748  0.580  1.0
[/CIF]
.