The compound described by MgCu2(GeO3)2 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like 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 rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Ge(2) atoms. In the third O site, O(3) is bonded to one Mg(1), two equivalent Cu(1), and one Ge(1) atom to form a mixture of corner and edge-sharing OMgCu2Ge trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.115
_cell_length_b   5.456
_cell_length_c   8.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.327
_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  0.603  0.250  1.0
  Cu  Cu1  1  0.000  0.497  0.535  1.0
  Cu  Cu2  1  0.000  0.497  0.965  1.0
  Ge  Ge3  1  0.500  0.097  0.250  1.0
  Ge  Ge4  1  0.500  0.902  0.750  1.0
  O  O5  1  0.000  0.870  0.250  1.0
  O  O6  1  0.000  0.083  0.750  1.0
  O  O7  1  0.500  0.319  0.409  1.0
  O  O8  1  0.500  0.712  0.581  1.0
  O  O9  1  0.500  0.319  0.091  1.0
  O  O10  1  0.500  0.712  0.919  1.0
[/CIF]
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The compound described by MgCu2(GeO3)2 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like 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 rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Ge(2) atoms. In the third O site, O(3) is bonded to one Mg(1), two equivalent Cu(1), and one Ge(1) atom to form a mixture of corner and edge-sharing OMgCu2Ge trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.115
_cell_length_b   5.456
_cell_length_c   8.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.327
_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  0.603  0.250  1.0
  Cu  Cu1  1  0.000  0.497  0.535  1.0
  Cu  Cu2  1  0.000  0.497  0.965  1.0
  Ge  Ge3  1  0.500  0.097  0.250  1.0
  Ge  Ge4  1  0.500  0.902  0.750  1.0
  O  O5  1  0.000  0.870  0.250  1.0
  O  O6  1  0.000  0.083  0.750  1.0
  O  O7  1  0.500  0.319  0.409  1.0
  O  O8  1  0.500  0.712  0.581  1.0
  O  O9  1  0.500  0.319  0.091  1.0
  O  O10  1  0.500  0.712  0.919  1.0
[/CIF]
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