The structure described by MgCu3(MoO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Cu(3), one O(11), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the third Mo site, Mo(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one Mg(1), one O(1), one O(10), one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(4), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(4), and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(3), and one Cu(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mo(2), one Mo(3), and one Cu(1) atom to form OMgCuMo2 trigonal pyramids that share  a cornercorner with one O(12)Cu2Mo2 trigonal pyramid, corners with three equivalent O(10)Cu2Mo2 trigonal pyramids, and  an edgeedge with one O(7)MgCuMo2 trigonal pyramid. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(3), and one Mo(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mo(1), one Mo(4), and one Cu(1) atom to form OMgCuMo2 trigonal pyramids that share  a cornercorner with one O(10)Cu2Mo2 trigonal pyramid, corners with three equivalent O(12)Cu2Mo2 trigonal pyramids, and  an edgeedge with one O(4)MgCuMo2 trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(3), one Mo(4), and one Cu(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(3), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Mo(2), one Mo(3), one Cu(1), and one Cu(3) atom to form distorted OCu2Mo2 trigonal pyramids that share  a cornercorner with one O(7)MgCuMo2 trigonal pyramid, corners with three equivalent O(4)MgCuMo2 trigonal pyramids, and  an edgeedge with one O(12)Cu2Mo2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(1), one Mo(2), and one Cu(3) atom. In the twelfth O site, O(12) is bonded to one Mo(1), one Mo(4), one Cu(1), and one Cu(3) atom to form distorted OCu2Mo2 trigonal pyramids that share  a cornercorner with one O(4)MgCuMo2 trigonal pyramid, corners with three equivalent O(7)MgCuMo2 trigonal pyramids, and  an edgeedge with one O(10)Cu2Mo2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu3(MoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.612
_cell_length_b   6.564
_cell_length_c   6.925
_cell_angle_alpha   110.375
_cell_angle_beta   108.146
_cell_angle_gamma   107.840
_symmetry_Int_Tables_number   1
_cell_volume   236.951
_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
  Mg  Mg0  1  0.453  0.861  0.321  1.0
  Cu  Cu1  1  0.493  0.491  0.981  1.0
  Cu  Cu2  1  0.995  0.489  0.483  1.0
  Cu  Cu3  1  0.564  0.134  0.697  1.0
  Mo  Mo4  1  0.995  0.987  0.478  1.0
  Mo  Mo5  1  0.998  0.491  0.985  1.0
  Mo  Mo6  1  0.493  0.483  0.477  1.0
  Mo  Mo7  1  0.494  0.989  0.986  1.0
  O  O8  1  0.806  0.292  0.112  1.0
  O  O9  1  0.188  0.688  0.862  1.0
  O  O10  1  0.822  0.681  0.492  1.0
  O  O11  1  0.320  0.494  0.169  1.0
  O  O12  1  0.483  0.167  0.293  1.0
  O  O13  1  0.115  0.797  0.275  1.0
  O  O14  1  0.673  0.854  0.176  1.0
  O  O15  1  0.497  0.804  0.660  1.0
  O  O16  1  0.165  0.295  0.470  1.0
  O  O17  1  0.667  0.482  0.792  1.0
  O  O18  1  0.868  0.178  0.681  1.0
  O  O19  1  0.312  0.124  0.788  1.0
[/CIF]
.
The structure described by MgCu3(MoO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Cu(3), one O(11), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the third Mo site, Mo(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one Mg(1), one O(1), one O(10), one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(4), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(4), and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(3), and one Cu(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mo(2), one Mo(3), and one Cu(1) atom to form OMgCuMo2 trigonal pyramids that share  a cornercorner with one O(12)Cu2Mo2 trigonal pyramid, corners with three equivalent O(10)Cu2Mo2 trigonal pyramids, and  an edgeedge with one O(7)MgCuMo2 trigonal pyramid. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(3), and one Mo(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mo(1), one Mo(4), and one Cu(1) atom to form OMgCuMo2 trigonal pyramids that share  a cornercorner with one O(10)Cu2Mo2 trigonal pyramid, corners with three equivalent O(12)Cu2Mo2 trigonal pyramids, and  an edgeedge with one O(4)MgCuMo2 trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(3), one Mo(4), and one Cu(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(3), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Mo(2), one Mo(3), one Cu(1), and one Cu(3) atom to form distorted OCu2Mo2 trigonal pyramids that share  a cornercorner with one O(7)MgCuMo2 trigonal pyramid, corners with three equivalent O(4)MgCuMo2 trigonal pyramids, and  an edgeedge with one O(12)Cu2Mo2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(1), one Mo(2), and one Cu(3) atom. In the twelfth O site, O(12) is bonded to one Mo(1), one Mo(4), one Cu(1), and one Cu(3) atom to form distorted OCu2Mo2 trigonal pyramids that share  a cornercorner with one O(4)MgCuMo2 trigonal pyramid, corners with three equivalent O(7)MgCuMo2 trigonal pyramids, and  an edgeedge with one O(10)Cu2Mo2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu3(MoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.612
_cell_length_b   6.564
_cell_length_c   6.925
_cell_angle_alpha   110.375
_cell_angle_beta   108.146
_cell_angle_gamma   107.840
_symmetry_Int_Tables_number   1
_cell_volume   236.951
_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
  Mg  Mg0  1  0.453  0.861  0.321  1.0
  Cu  Cu1  1  0.493  0.491  0.981  1.0
  Cu  Cu2  1  0.995  0.489  0.483  1.0
  Cu  Cu3  1  0.564  0.134  0.697  1.0
  Mo  Mo4  1  0.995  0.987  0.478  1.0
  Mo  Mo5  1  0.998  0.491  0.985  1.0
  Mo  Mo6  1  0.493  0.483  0.477  1.0
  Mo  Mo7  1  0.494  0.989  0.986  1.0
  O  O8  1  0.806  0.292  0.112  1.0
  O  O9  1  0.188  0.688  0.862  1.0
  O  O10  1  0.822  0.681  0.492  1.0
  O  O11  1  0.320  0.494  0.169  1.0
  O  O12  1  0.483  0.167  0.293  1.0
  O  O13  1  0.115  0.797  0.275  1.0
  O  O14  1  0.673  0.854  0.176  1.0
  O  O15  1  0.497  0.804  0.660  1.0
  O  O16  1  0.165  0.295  0.470  1.0
  O  O17  1  0.667  0.482  0.792  1.0
  O  O18  1  0.868  0.178  0.681  1.0
  O  O19  1  0.312  0.124  0.788  1.0
[/CIF]
.