The material structure described by MgCu2(GeO3)2 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(4) atoms. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing GeO4 tetrahedra. In the second Ge site, Ge(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form corner-sharing GeO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ge(2) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Ge(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Cu(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_MgCu2(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.105
_cell_length_b   5.260
_cell_length_c   9.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   147.871
_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  0.505  0.750  1.0
  Cu  Cu1  1  0.000  0.506  0.444  1.0
  Cu  Cu2  1  0.000  0.506  0.056  1.0
  Ge  Ge3  1  0.500  0.093  0.250  1.0
  Ge  Ge4  1  0.500  0.935  0.750  1.0
  O  O5  1  0.000  0.899  0.250  1.0
  O  O6  1  0.000  0.130  0.750  1.0
  O  O7  1  0.500  0.289  0.409  1.0
  O  O8  1  0.500  0.680  0.611  1.0
  O  O9  1  0.500  0.289  0.091  1.0
  O  O10  1  0.500  0.680  0.889  1.0
[/CIF]
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The material structure described by MgCu2(GeO3)2 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(4) atoms. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing GeO4 tetrahedra. In the second Ge site, Ge(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form corner-sharing GeO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ge(2) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Ge(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Cu(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_MgCu2(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.105
_cell_length_b   5.260
_cell_length_c   9.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   147.871
_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  0.505  0.750  1.0
  Cu  Cu1  1  0.000  0.506  0.444  1.0
  Cu  Cu2  1  0.000  0.506  0.056  1.0
  Ge  Ge3  1  0.500  0.093  0.250  1.0
  Ge  Ge4  1  0.500  0.935  0.750  1.0
  O  O5  1  0.000  0.899  0.250  1.0
  O  O6  1  0.000  0.130  0.750  1.0
  O  O7  1  0.500  0.289  0.409  1.0
  O  O8  1  0.500  0.680  0.611  1.0
  O  O9  1  0.500  0.289  0.091  1.0
  O  O10  1  0.500  0.680  0.889  1.0
[/CIF]
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