The structure described by MnGa2(CuSe2)3 is Stannite-like structured and crystallizes in the orthorhombic Fdd2 space group. Mn(1) is bonded to two equivalent Se(2) and two equivalent Se(3) atoms to form MnSe4 tetrahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Ga(1)Se4 tetrahedra, and corners with six equivalent Cu(1)Se4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form CuSe4 tetrahedra that share corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Mn(1)Se4 tetrahedra, and corners with five equivalent Ga(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with six equivalent Ga(1)Se4 tetrahedra. Ga(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with three equivalent Cu(2)Se4 tetrahedra, and corners with five equivalent Cu(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(2), and two equivalent Ga(1) atoms to form SeGa2Cu2 tetrahedra that share corners with three equivalent Se(1)Ga2Cu2 tetrahedra, corners with four equivalent Se(3)MnGaCu2 tetrahedra, and corners with five equivalent Se(2)MnGaCu2 tetrahedra. In the second Se site, Se(2) is bonded to one Mn(1), one Cu(1), one Cu(2), and one Ga(1) atom to form SeMnGaCu2 tetrahedra that share corners with two equivalent Se(2)MnGaCu2 tetrahedra, corners with five equivalent Se(1)Ga2Cu2 tetrahedra, and corners with five equivalent Se(3)MnGaCu2 tetrahedra. In the third Se site, Se(3) is bonded to one Mn(1), two equivalent Cu(1), and one Ga(1) atom to form SeMnGaCu2 tetrahedra that share corners with three equivalent Se(3)MnGaCu2 tetrahedra, corners with four equivalent Se(1)Ga2Cu2 tetrahedra, and corners with five equivalent Se(2)MnGaCu2 tetrahedra. is represented by the CIF card [CIF]
data_MnGa2(CuSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.152
_cell_length_b   12.536
_cell_length_c   6.861
_cell_angle_alpha   79.536
_cell_angle_beta   69.600
_cell_angle_gamma   30.864
_symmetry_Int_Tables_number   1
_cell_volume   527.446
_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
  Mn  Mn0  1  0.416  0.084  0.416  1.0
  Mn  Mn1  1  0.166  0.834  0.166  1.0
  Ga  Ga2  1  0.756  0.413  0.077  1.0
  Ga  Ga3  1  0.077  0.754  0.756  1.0
  Ga  Ga4  1  0.496  0.173  0.837  1.0
  Ga  Ga5  1  0.837  0.494  0.496  1.0
  Cu  Cu6  1  0.586  0.250  0.245  1.0
  Cu  Cu7  1  0.918  0.582  0.918  1.0
  Cu  Cu8  1  0.245  0.919  0.586  1.0
  Cu  Cu9  1  1.000  0.664  0.331  1.0
  Cu  Cu10  1  0.331  0.005  1.000  1.0
  Cu  Cu11  1  0.668  0.332  0.668  1.0
  Se  Se12  1  0.707  0.629  0.873  1.0
  Se  Se13  1  0.038  0.961  0.552  1.0
  Se  Se14  1  0.374  0.299  0.208  1.0
  Se  Se15  1  0.208  0.119  0.374  1.0
  Se  Se16  1  0.552  0.450  0.038  1.0
  Se  Se17  1  0.873  0.791  0.707  1.0
  Se  Se18  1  0.289  0.212  0.800  1.0
  Se  Se19  1  0.621  0.543  0.459  1.0
  Se  Se20  1  0.951  0.876  0.131  1.0
  Se  Se21  1  0.459  0.377  0.621  1.0
  Se  Se22  1  0.800  0.698  0.289  1.0
  Se  Se23  1  0.131  0.042  0.951  1.0
[/CIF]
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The structure described by MnGa2(CuSe2)3 is Stannite-like structured and crystallizes in the orthorhombic Fdd2 space group. Mn(1) is bonded to two equivalent Se(2) and two equivalent Se(3) atoms to form MnSe4 tetrahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Ga(1)Se4 tetrahedra, and corners with six equivalent Cu(1)Se4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form CuSe4 tetrahedra that share corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Mn(1)Se4 tetrahedra, and corners with five equivalent Ga(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with six equivalent Ga(1)Se4 tetrahedra. Ga(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with three equivalent Cu(2)Se4 tetrahedra, and corners with five equivalent Cu(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(2), and two equivalent Ga(1) atoms to form SeGa2Cu2 tetrahedra that share corners with three equivalent Se(1)Ga2Cu2 tetrahedra, corners with four equivalent Se(3)MnGaCu2 tetrahedra, and corners with five equivalent Se(2)MnGaCu2 tetrahedra. In the second Se site, Se(2) is bonded to one Mn(1), one Cu(1), one Cu(2), and one Ga(1) atom to form SeMnGaCu2 tetrahedra that share corners with two equivalent Se(2)MnGaCu2 tetrahedra, corners with five equivalent Se(1)Ga2Cu2 tetrahedra, and corners with five equivalent Se(3)MnGaCu2 tetrahedra. In the third Se site, Se(3) is bonded to one Mn(1), two equivalent Cu(1), and one Ga(1) atom to form SeMnGaCu2 tetrahedra that share corners with three equivalent Se(3)MnGaCu2 tetrahedra, corners with four equivalent Se(1)Ga2Cu2 tetrahedra, and corners with five equivalent Se(2)MnGaCu2 tetrahedra. is represented by the CIF card [CIF]
data_MnGa2(CuSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.152
_cell_length_b   12.536
_cell_length_c   6.861
_cell_angle_alpha   79.536
_cell_angle_beta   69.600
_cell_angle_gamma   30.864
_symmetry_Int_Tables_number   1
_cell_volume   527.446
_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
  Mn  Mn0  1  0.416  0.084  0.416  1.0
  Mn  Mn1  1  0.166  0.834  0.166  1.0
  Ga  Ga2  1  0.756  0.413  0.077  1.0
  Ga  Ga3  1  0.077  0.754  0.756  1.0
  Ga  Ga4  1  0.496  0.173  0.837  1.0
  Ga  Ga5  1  0.837  0.494  0.496  1.0
  Cu  Cu6  1  0.586  0.250  0.245  1.0
  Cu  Cu7  1  0.918  0.582  0.918  1.0
  Cu  Cu8  1  0.245  0.919  0.586  1.0
  Cu  Cu9  1  1.000  0.664  0.331  1.0
  Cu  Cu10  1  0.331  0.005  1.000  1.0
  Cu  Cu11  1  0.668  0.332  0.668  1.0
  Se  Se12  1  0.707  0.629  0.873  1.0
  Se  Se13  1  0.038  0.961  0.552  1.0
  Se  Se14  1  0.374  0.299  0.208  1.0
  Se  Se15  1  0.208  0.119  0.374  1.0
  Se  Se16  1  0.552  0.450  0.038  1.0
  Se  Se17  1  0.873  0.791  0.707  1.0
  Se  Se18  1  0.289  0.212  0.800  1.0
  Se  Se19  1  0.621  0.543  0.459  1.0
  Se  Se20  1  0.951  0.876  0.131  1.0
  Se  Se21  1  0.459  0.377  0.621  1.0
  Se  Se22  1  0.800  0.698  0.289  1.0
  Se  Se23  1  0.131  0.042  0.951  1.0
[/CIF]
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