The crystal structure described by Sr4WMoCu2O12 crystallizes in the tetragonal P4/m space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrO8 cuboctahedra that share corners with four equivalent Sr(1)O8 cuboctahedra, edges with six equivalent Sr(1)O8 cuboctahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. W(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. Mo(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Cu(2)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CuO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one W(1), and one Cu(2) atom to form OSr4CuW octahedra that share corners with six equivalent O(1)Sr4CuW octahedra and edges with four equivalent O(2)Sr4CuMo octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Cu(1) atom to form distorted OSr4CuMo octahedra that share corners with six equivalent O(2)Sr4CuMo octahedra and edges with four equivalent O(1)Sr4CuW octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mo(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one W(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Sr4Cu2MoWO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.508
_cell_length_b   5.508
_cell_length_c   8.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   258.386
_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  0.500  0.000  0.251  1.0
  Sr  Sr1  1  0.000  0.500  0.749  1.0
  Sr  Sr2  1  0.000  0.500  0.251  1.0
  Sr  Sr3  1  0.500  0.000  0.749  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  Mo  Mo6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.000  0.229  1.0
  O  O9  1  0.500  0.500  0.729  1.0
  O  O10  1  0.500  0.500  0.271  1.0
  O  O11  1  0.000  0.000  0.771  1.0
  O  O12  1  0.703  0.790  0.500  1.0
  O  O13  1  0.203  0.290  0.000  1.0
  O  O14  1  0.797  0.710  0.000  1.0
  O  O15  1  0.297  0.210  0.500  1.0
  O  O16  1  0.710  0.203  0.000  1.0
  O  O17  1  0.210  0.703  0.500  1.0
  O  O18  1  0.790  0.297  0.500  1.0
  O  O19  1  0.290  0.797  0.000  1.0
[/CIF]
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The crystal structure described by Sr4WMoCu2O12 crystallizes in the tetragonal P4/m space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrO8 cuboctahedra that share corners with four equivalent Sr(1)O8 cuboctahedra, edges with six equivalent Sr(1)O8 cuboctahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. W(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. Mo(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Cu(2)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CuO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one W(1), and one Cu(2) atom to form OSr4CuW octahedra that share corners with six equivalent O(1)Sr4CuW octahedra and edges with four equivalent O(2)Sr4CuMo octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Cu(1) atom to form distorted OSr4CuMo octahedra that share corners with six equivalent O(2)Sr4CuMo octahedra and edges with four equivalent O(1)Sr4CuW octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mo(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one W(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Sr4Cu2MoWO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.508
_cell_length_b   5.508
_cell_length_c   8.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   258.386
_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  0.500  0.000  0.251  1.0
  Sr  Sr1  1  0.000  0.500  0.749  1.0
  Sr  Sr2  1  0.000  0.500  0.251  1.0
  Sr  Sr3  1  0.500  0.000  0.749  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  Mo  Mo6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.000  0.229  1.0
  O  O9  1  0.500  0.500  0.729  1.0
  O  O10  1  0.500  0.500  0.271  1.0
  O  O11  1  0.000  0.000  0.771  1.0
  O  O12  1  0.703  0.790  0.500  1.0
  O  O13  1  0.203  0.290  0.000  1.0
  O  O14  1  0.797  0.710  0.000  1.0
  O  O15  1  0.297  0.210  0.500  1.0
  O  O16  1  0.710  0.203  0.000  1.0
  O  O17  1  0.210  0.703  0.500  1.0
  O  O18  1  0.790  0.297  0.500  1.0
  O  O19  1  0.290  0.797  0.000  1.0
[/CIF]
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