The material described by MgCu4(GeO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a distorted octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Ge(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Cu(2), and one Ge(1) atom to form distorted corner-sharing OMgCu2Ge tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Cu(1), one Cu(3), and one Ge(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one Ge(1) atom. is represented by the CIF card [CIF]
data_MgCu4(GeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.516
_cell_length_b   5.727
_cell_length_c   7.674
_cell_angle_alpha   118.742
_cell_angle_beta   111.063
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.880
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  1.000  0.500  1.000  1.0
  Ge  Ge5  1  0.637  0.354  0.273  1.0
  Ge  Ge6  1  0.363  0.646  0.727  1.0
  O  O7  1  0.682  0.717  0.364  1.0
  O  O8  1  0.787  0.287  0.080  1.0
  O  O9  1  0.292  0.287  0.080  1.0
  O  O10  1  0.318  0.283  0.636  1.0
  O  O11  1  0.279  0.779  0.558  1.0
  O  O12  1  0.213  0.713  0.920  1.0
  O  O13  1  0.721  0.221  0.442  1.0
  O  O14  1  0.708  0.713  0.920  1.0
[/CIF]
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The material described by MgCu4(GeO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a distorted octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Ge(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Cu(2), and one Ge(1) atom to form distorted corner-sharing OMgCu2Ge tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Cu(1), one Cu(3), and one Ge(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one Ge(1) atom. is represented by the CIF card [CIF]
data_MgCu4(GeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.516
_cell_length_b   5.727
_cell_length_c   7.674
_cell_angle_alpha   118.742
_cell_angle_beta   111.063
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.880
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  1.000  0.500  1.000  1.0
  Ge  Ge5  1  0.637  0.354  0.273  1.0
  Ge  Ge6  1  0.363  0.646  0.727  1.0
  O  O7  1  0.682  0.717  0.364  1.0
  O  O8  1  0.787  0.287  0.080  1.0
  O  O9  1  0.292  0.287  0.080  1.0
  O  O10  1  0.318  0.283  0.636  1.0
  O  O11  1  0.279  0.779  0.558  1.0
  O  O12  1  0.213  0.713  0.920  1.0
  O  O13  1  0.721  0.221  0.442  1.0
  O  O14  1  0.708  0.713  0.920  1.0
[/CIF]
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