The material described by Cu2CoGeSe4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Co(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form CoSe4 tetrahedra that share corners with four equivalent Ge(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form GeSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Co(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SeCoCu2Ge tetrahedra. In the second Se site, Se(2) is bonded to one Co(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SeCoCu2Ge tetrahedra. In the third Se site, Se(3) is bonded to one Co(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SeCoCu2Ge tetrahedra. is represented by the CIF card [CIF]
data_CoCu2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   6.798
_cell_length_c   7.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   348.113
_cell_formula_units_Z   2
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
  Co  Co0  1  0.506  0.339  0.000  1.0
  Co  Co1  1  0.006  0.661  0.500  1.0
  Cu  Cu2  1  0.513  0.826  0.249  1.0
  Cu  Cu3  1  0.013  0.174  0.251  1.0
  Cu  Cu4  1  0.013  0.174  0.749  1.0
  Cu  Cu5  1  0.513  0.826  0.751  1.0
  Ge  Ge6  1  0.003  0.669  0.000  1.0
  Ge  Ge7  1  0.503  0.331  0.500  1.0
  Se  Se8  1  0.872  0.332  0.000  1.0
  Se  Se9  1  0.372  0.668  0.500  1.0
  Se  Se10  1  0.882  0.839  0.259  1.0
  Se  Se11  1  0.382  0.161  0.241  1.0
  Se  Se12  1  0.382  0.161  0.759  1.0
  Se  Se13  1  0.882  0.839  0.741  1.0
  Se  Se14  1  0.381  0.665  0.000  1.0
  Se  Se15  1  0.881  0.335  0.500  1.0
[/CIF]
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The material described by Cu2CoGeSe4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Co(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form CoSe4 tetrahedra that share corners with four equivalent Ge(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form GeSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Co(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SeCoCu2Ge tetrahedra. In the second Se site, Se(2) is bonded to one Co(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SeCoCu2Ge tetrahedra. In the third Se site, Se(3) is bonded to one Co(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SeCoCu2Ge tetrahedra. is represented by the CIF card [CIF]
data_CoCu2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   6.798
_cell_length_c   7.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   348.113
_cell_formula_units_Z   2
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
  Co  Co0  1  0.506  0.339  0.000  1.0
  Co  Co1  1  0.006  0.661  0.500  1.0
  Cu  Cu2  1  0.513  0.826  0.249  1.0
  Cu  Cu3  1  0.013  0.174  0.251  1.0
  Cu  Cu4  1  0.013  0.174  0.749  1.0
  Cu  Cu5  1  0.513  0.826  0.751  1.0
  Ge  Ge6  1  0.003  0.669  0.000  1.0
  Ge  Ge7  1  0.503  0.331  0.500  1.0
  Se  Se8  1  0.872  0.332  0.000  1.0
  Se  Se9  1  0.372  0.668  0.500  1.0
  Se  Se10  1  0.882  0.839  0.259  1.0
  Se  Se11  1  0.382  0.161  0.241  1.0
  Se  Se12  1  0.382  0.161  0.759  1.0
  Se  Se13  1  0.882  0.839  0.741  1.0
  Se  Se14  1  0.381  0.665  0.000  1.0
  Se  Se15  1  0.881  0.335  0.500  1.0
[/CIF]
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