The material structure described by Mg(CuO)8 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(5), two equivalent O(4), and two equivalent O(7) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Cu(5)O5 square pyramids, edges with two equivalent Cu(5)O5 square pyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(3) and one O(4) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(5) and one O(6) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(7) and one O(8) atom. In the fifth Cu site, Cu(5) is bonded to one O(2), two equivalent O(4), and two equivalent O(7) atoms to form CuO5 square pyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Cu(5)O5 square pyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. In the sixth Cu site, Cu(6) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(6) atoms. In the seventh Cu site, Cu(7) is bonded in a 4-coordinate geometry to one O(6), two equivalent O(3), and two equivalent O(8) atoms. In the eighth Cu site, Cu(8) is bonded in a distorted square co-planar geometry to one O(7), two equivalent O(2), and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Cu(1) and two equivalent Cu(6) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Cu(5), and two equivalent Cu(8) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(6), and two equivalent Cu(7) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Cu(2), and two equivalent Cu(5) atoms to form edge-sharing OMg2Cu3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cu(3), and two equivalent Cu(8) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Cu(3), one Cu(7), and two equivalent Cu(6) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Mg(1), one Cu(4), one Cu(8), and two equivalent Cu(5) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Cu(4) and two equivalent Cu(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CuO)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   2.880
_cell_length_c   12.385
_cell_angle_alpha   90.000
_cell_angle_beta   94.112
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.530
_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  0.612  0.250  0.562  1.0
  Cu  Cu1  1  0.124  0.250  0.250  1.0
  Cu  Cu2  1  0.384  0.750  0.754  1.0
  Cu  Cu3  1  0.591  0.250  0.254  1.0
  Cu  Cu4  1  0.903  0.750  0.756  1.0
  Cu  Cu5  1  0.125  0.250  0.591  1.0
  Cu  Cu6  1  0.337  0.750  0.094  1.0
  Cu  Cu7  1  0.666  0.250  0.909  1.0
  Cu  Cu8  1  0.883  0.750  0.396  1.0
  O  O9  1  0.129  0.250  0.102  1.0
  O  O10  1  0.097  0.250  0.396  1.0
  O  O11  1  0.451  0.750  0.901  1.0
  O  O12  1  0.381  0.750  0.602  1.0
  O  O13  1  0.660  0.250  0.403  1.0
  O  O14  1  0.550  0.250  0.106  1.0
  O  O15  1  0.867  0.750  0.604  1.0
  O  O16  1  0.875  0.750  0.901  1.0
[/CIF]
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The material structure described by Mg(CuO)8 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(5), two equivalent O(4), and two equivalent O(7) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Cu(5)O5 square pyramids, edges with two equivalent Cu(5)O5 square pyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(3) and one O(4) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(5) and one O(6) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(7) and one O(8) atom. In the fifth Cu site, Cu(5) is bonded to one O(2), two equivalent O(4), and two equivalent O(7) atoms to form CuO5 square pyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Cu(5)O5 square pyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. In the sixth Cu site, Cu(6) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(6) atoms. In the seventh Cu site, Cu(7) is bonded in a 4-coordinate geometry to one O(6), two equivalent O(3), and two equivalent O(8) atoms. In the eighth Cu site, Cu(8) is bonded in a distorted square co-planar geometry to one O(7), two equivalent O(2), and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Cu(1) and two equivalent Cu(6) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Cu(5), and two equivalent Cu(8) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(6), and two equivalent Cu(7) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Cu(2), and two equivalent Cu(5) atoms to form edge-sharing OMg2Cu3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cu(3), and two equivalent Cu(8) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Cu(3), one Cu(7), and two equivalent Cu(6) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Mg(1), one Cu(4), one Cu(8), and two equivalent Cu(5) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Cu(4) and two equivalent Cu(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CuO)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   2.880
_cell_length_c   12.385
_cell_angle_alpha   90.000
_cell_angle_beta   94.112
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.530
_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  0.612  0.250  0.562  1.0
  Cu  Cu1  1  0.124  0.250  0.250  1.0
  Cu  Cu2  1  0.384  0.750  0.754  1.0
  Cu  Cu3  1  0.591  0.250  0.254  1.0
  Cu  Cu4  1  0.903  0.750  0.756  1.0
  Cu  Cu5  1  0.125  0.250  0.591  1.0
  Cu  Cu6  1  0.337  0.750  0.094  1.0
  Cu  Cu7  1  0.666  0.250  0.909  1.0
  Cu  Cu8  1  0.883  0.750  0.396  1.0
  O  O9  1  0.129  0.250  0.102  1.0
  O  O10  1  0.097  0.250  0.396  1.0
  O  O11  1  0.451  0.750  0.901  1.0
  O  O12  1  0.381  0.750  0.602  1.0
  O  O13  1  0.660  0.250  0.403  1.0
  O  O14  1  0.550  0.250  0.106  1.0
  O  O15  1  0.867  0.750  0.604  1.0
  O  O16  1  0.875  0.750  0.901  1.0
[/CIF]
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