The crystal structure described by MnZn(GaSe2)4 crystallizes in the tetragonal P-4 space group. Mn(1) is bonded to four equivalent Se(2) atoms to form MnSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with four equivalent Ga(3)Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with four equivalent Ga(2)Se4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form GaSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Zn(1)Se4 tetrahedra, corners with two equivalent Ga(2)Se4 tetrahedra, and corners with two equivalent Ga(3)Se4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and corners with four equivalent Ga(1)Se4 tetrahedra. In the third Ga site, Ga(3) is bonded to four equivalent Se(2) atoms to form GaSe4 tetrahedra that share corners with four equivalent Mn(1)Se4 tetrahedra and corners with four equivalent Ga(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Ga(1), and one Ga(2) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Ga(1), and one Ga(3) atom. is represented by the CIF card [CIF]
data_MnZn(GaSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   5.651
_cell_length_c   11.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.425
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.500  0.000  0.751  1.0
  Ga  Ga3  1  0.000  0.500  0.249  1.0
  Ga  Ga4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.500  1.0
  Se  Se6  1  0.241  0.735  0.867  1.0
  Se  Se7  1  0.744  0.233  0.366  1.0
  Se  Se8  1  0.759  0.265  0.867  1.0
  Se  Se9  1  0.256  0.767  0.366  1.0
  Se  Se10  1  0.265  0.241  0.133  1.0
  Se  Se11  1  0.767  0.744  0.634  1.0
  Se  Se12  1  0.735  0.759  0.133  1.0
  Se  Se13  1  0.233  0.256  0.634  1.0
[/CIF]
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The crystal structure described by MnZn(GaSe2)4 crystallizes in the tetragonal P-4 space group. Mn(1) is bonded to four equivalent Se(2) atoms to form MnSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with four equivalent Ga(3)Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with four equivalent Ga(2)Se4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form GaSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Zn(1)Se4 tetrahedra, corners with two equivalent Ga(2)Se4 tetrahedra, and corners with two equivalent Ga(3)Se4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and corners with four equivalent Ga(1)Se4 tetrahedra. In the third Ga site, Ga(3) is bonded to four equivalent Se(2) atoms to form GaSe4 tetrahedra that share corners with four equivalent Mn(1)Se4 tetrahedra and corners with four equivalent Ga(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Ga(1), and one Ga(2) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Ga(1), and one Ga(3) atom. is represented by the CIF card [CIF]
data_MnZn(GaSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   5.651
_cell_length_c   11.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.425
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.500  0.000  0.751  1.0
  Ga  Ga3  1  0.000  0.500  0.249  1.0
  Ga  Ga4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.500  1.0
  Se  Se6  1  0.241  0.735  0.867  1.0
  Se  Se7  1  0.744  0.233  0.366  1.0
  Se  Se8  1  0.759  0.265  0.867  1.0
  Se  Se9  1  0.256  0.767  0.366  1.0
  Se  Se10  1  0.265  0.241  0.133  1.0
  Se  Se11  1  0.767  0.744  0.634  1.0
  Se  Se12  1  0.735  0.759  0.133  1.0
  Se  Se13  1  0.233  0.256  0.634  1.0
[/CIF]
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