The material described by MgCu2(GeO3)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Ge(1)O4 trigonal pyramids. There are two 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 four equivalent O(3) atoms. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GeO4 trigonal pyramids that share corners with two equivalent Ge(1)O4 trigonal pyramids and edges with two equivalent Mg(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Ge(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Cu(2), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OMg2Cu2Ge trigonal bipyramids. is represented by the CIF file [CIF]
data_MgCu2(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.100
_cell_length_b   5.557
_cell_length_c   8.429
_cell_angle_alpha   83.726
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.326
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Ge  Ge3  1  0.500  0.100  0.282  1.0
  Ge  Ge4  1  0.500  0.900  0.718  1.0
  O  O5  1  0.000  0.922  0.258  1.0
  O  O6  1  0.000  0.078  0.742  1.0
  O  O7  1  0.500  0.296  0.429  1.0
  O  O8  1  0.500  0.704  0.571  1.0
  O  O9  1  0.500  0.230  0.069  1.0
  O  O10  1  0.500  0.770  0.931  1.0
[/CIF]
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The material described by MgCu2(GeO3)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Ge(1)O4 trigonal pyramids. There are two 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 four equivalent O(3) atoms. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GeO4 trigonal pyramids that share corners with two equivalent Ge(1)O4 trigonal pyramids and edges with two equivalent Mg(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Ge(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Cu(2), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OMg2Cu2Ge trigonal bipyramids. is represented by the CIF file [CIF]
data_MgCu2(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.100
_cell_length_b   5.557
_cell_length_c   8.429
_cell_angle_alpha   83.726
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.326
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Ge  Ge3  1  0.500  0.100  0.282  1.0
  Ge  Ge4  1  0.500  0.900  0.718  1.0
  O  O5  1  0.000  0.922  0.258  1.0
  O  O6  1  0.000  0.078  0.742  1.0
  O  O7  1  0.500  0.296  0.429  1.0
  O  O8  1  0.500  0.704  0.571  1.0
  O  O9  1  0.500  0.230  0.069  1.0
  O  O10  1  0.500  0.770  0.931  1.0
[/CIF]
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