The crystal structure described by MgCuBiO5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. Cu(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one Bi(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share  a cornercorner with one Cu(1)O5 trigonal bipyramid,  an edgeedge with one Bi(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Cu(1), and one Bi(1) atom to form distorted OMgCu2Bi trigonal pyramids that share corners with two equivalent O(4)Mg2Bi2 tetrahedra,  an edgeedge with one O(4)Mg2Bi2 tetrahedra, and  an edgeedge with one O(1)MgCu2Bi trigonal pyramid. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted OMg2Bi2 tetrahedra that share corners with two equivalent O(1)MgCu2Bi trigonal pyramids, edges with two equivalent O(4)Mg2Bi2 tetrahedra, and  an edgeedge with one O(1)MgCu2Bi trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_MgCuBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.305
_cell_length_b   5.392
_cell_length_c   8.517
_cell_angle_alpha   71.543
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.871
_cell_formula_units_Z   4
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  0.100  0.511  0.844  1.0
  Mg  Mg1  1  0.900  0.489  0.156  1.0
  Mg  Mg2  1  0.600  0.489  0.656  1.0
  Mg  Mg3  1  0.400  0.511  0.344  1.0
  Cu  Cu4  1  0.380  0.060  0.070  1.0
  Cu  Cu5  1  0.620  0.940  0.930  1.0
  Cu  Cu6  1  0.880  0.940  0.430  1.0
  Cu  Cu7  1  0.120  0.060  0.570  1.0
  Bi  Bi8  1  0.906  0.046  0.833  1.0
  Bi  Bi9  1  0.094  0.954  0.167  1.0
  Bi  Bi10  1  0.594  0.046  0.333  1.0
  Bi  Bi11  1  0.406  0.954  0.667  1.0
  O  O12  1  0.972  0.849  0.649  1.0
  O  O13  1  0.036  0.312  0.689  1.0
  O  O14  1  0.780  0.204  0.276  1.0
  O  O15  1  0.463  0.748  0.490  1.0
  O  O16  1  0.725  0.767  0.494  1.0
  O  O17  1  0.775  0.767  0.994  1.0
  O  O18  1  0.464  0.312  0.189  1.0
  O  O19  1  0.536  0.688  0.811  1.0
  O  O20  1  0.537  0.252  0.510  1.0
  O  O21  1  0.472  0.151  0.851  1.0
  O  O22  1  0.275  0.233  0.506  1.0
  O  O23  1  0.028  0.151  0.351  1.0
  O  O24  1  0.528  0.849  0.149  1.0
  O  O25  1  0.225  0.233  0.006  1.0
  O  O26  1  0.963  0.252  0.010  1.0
  O  O27  1  0.037  0.748  0.990  1.0
  O  O28  1  0.220  0.796  0.724  1.0
  O  O29  1  0.964  0.688  0.311  1.0
  O  O30  1  0.280  0.796  0.224  1.0
  O  O31  1  0.720  0.204  0.776  1.0
[/CIF]
.
The crystal structure described by MgCuBiO5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. Cu(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one Bi(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share  a cornercorner with one Cu(1)O5 trigonal bipyramid,  an edgeedge with one Bi(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Cu(1), and one Bi(1) atom to form distorted OMgCu2Bi trigonal pyramids that share corners with two equivalent O(4)Mg2Bi2 tetrahedra,  an edgeedge with one O(4)Mg2Bi2 tetrahedra, and  an edgeedge with one O(1)MgCu2Bi trigonal pyramid. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted OMg2Bi2 tetrahedra that share corners with two equivalent O(1)MgCu2Bi trigonal pyramids, edges with two equivalent O(4)Mg2Bi2 tetrahedra, and  an edgeedge with one O(1)MgCu2Bi trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_MgCuBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.305
_cell_length_b   5.392
_cell_length_c   8.517
_cell_angle_alpha   71.543
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.871
_cell_formula_units_Z   4
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  0.100  0.511  0.844  1.0
  Mg  Mg1  1  0.900  0.489  0.156  1.0
  Mg  Mg2  1  0.600  0.489  0.656  1.0
  Mg  Mg3  1  0.400  0.511  0.344  1.0
  Cu  Cu4  1  0.380  0.060  0.070  1.0
  Cu  Cu5  1  0.620  0.940  0.930  1.0
  Cu  Cu6  1  0.880  0.940  0.430  1.0
  Cu  Cu7  1  0.120  0.060  0.570  1.0
  Bi  Bi8  1  0.906  0.046  0.833  1.0
  Bi  Bi9  1  0.094  0.954  0.167  1.0
  Bi  Bi10  1  0.594  0.046  0.333  1.0
  Bi  Bi11  1  0.406  0.954  0.667  1.0
  O  O12  1  0.972  0.849  0.649  1.0
  O  O13  1  0.036  0.312  0.689  1.0
  O  O14  1  0.780  0.204  0.276  1.0
  O  O15  1  0.463  0.748  0.490  1.0
  O  O16  1  0.725  0.767  0.494  1.0
  O  O17  1  0.775  0.767  0.994  1.0
  O  O18  1  0.464  0.312  0.189  1.0
  O  O19  1  0.536  0.688  0.811  1.0
  O  O20  1  0.537  0.252  0.510  1.0
  O  O21  1  0.472  0.151  0.851  1.0
  O  O22  1  0.275  0.233  0.506  1.0
  O  O23  1  0.028  0.151  0.351  1.0
  O  O24  1  0.528  0.849  0.149  1.0
  O  O25  1  0.225  0.233  0.006  1.0
  O  O26  1  0.963  0.252  0.010  1.0
  O  O27  1  0.037  0.748  0.990  1.0
  O  O28  1  0.220  0.796  0.724  1.0
  O  O29  1  0.964  0.688  0.311  1.0
  O  O30  1  0.280  0.796  0.224  1.0
  O  O31  1  0.720  0.204  0.776  1.0
[/CIF]
.