The material described by Sr2MgWCuO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-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 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted MgO4 trigonal pyramids that share corners with two equivalent W(1)O6 octahedra and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-61°. W(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 WO6 octahedra that share corners with two equivalent Mg(1)O4 trigonal pyramids and  an edgeedge with one Mg(1)O4 trigonal pyramid. Cu(1) is bonded in a bent 150 degrees geometry to one O(1) and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Sr(1), one Sr(2), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Sr(2), one Mg(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one W(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 W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Sr(2), and one W(1) atom. is represented by the CIF file [CIF]
data_Sr2MgCuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   6.151
_cell_length_c   6.262
_cell_angle_alpha   122.144
_cell_angle_beta   109.809
_cell_angle_gamma   100.211
_symmetry_Int_Tables_number   1
_cell_volume   160.746
_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  0.809  0.310  0.579  1.0
  Sr  Sr1  1  0.172  0.756  0.366  1.0
  Mg  Mg2  1  0.449  0.721  0.861  1.0
  Cu  Cu3  1  0.488  0.294  0.991  1.0
  W  W4  1  0.022  0.039  0.011  1.0
  O  O5  1  0.184  0.348  0.978  1.0
  O  O6  1  0.810  0.740  0.018  1.0
  O  O7  1  0.653  0.059  0.865  1.0
  O  O8  1  0.349  0.954  0.151  1.0
  O  O9  1  0.171  0.366  0.438  1.0
  O  O10  1  0.916  0.746  0.616  1.0
[/CIF]
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The material described by Sr2MgWCuO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-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 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted MgO4 trigonal pyramids that share corners with two equivalent W(1)O6 octahedra and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-61°. W(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 WO6 octahedra that share corners with two equivalent Mg(1)O4 trigonal pyramids and  an edgeedge with one Mg(1)O4 trigonal pyramid. Cu(1) is bonded in a bent 150 degrees geometry to one O(1) and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Sr(1), one Sr(2), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Sr(2), one Mg(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one W(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 W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Sr(2), and one W(1) atom. is represented by the CIF file [CIF]
data_Sr2MgCuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   6.151
_cell_length_c   6.262
_cell_angle_alpha   122.144
_cell_angle_beta   109.809
_cell_angle_gamma   100.211
_symmetry_Int_Tables_number   1
_cell_volume   160.746
_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  0.809  0.310  0.579  1.0
  Sr  Sr1  1  0.172  0.756  0.366  1.0
  Mg  Mg2  1  0.449  0.721  0.861  1.0
  Cu  Cu3  1  0.488  0.294  0.991  1.0
  W  W4  1  0.022  0.039  0.011  1.0
  O  O5  1  0.184  0.348  0.978  1.0
  O  O6  1  0.810  0.740  0.018  1.0
  O  O7  1  0.653  0.059  0.865  1.0
  O  O8  1  0.349  0.954  0.151  1.0
  O  O9  1  0.171  0.366  0.438  1.0
  O  O10  1  0.916  0.746  0.616  1.0
[/CIF]
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