The compound described by KGaTe2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), one Te(4), one Te(5), and two equivalent Te(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), one Te(4), one Te(5), and two equivalent Te(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(1), one Te(2), one Te(3), and one Te(5) atom to form corner-sharing GaTe4 tetrahedra. In the second Ga site, Ga(2) is bonded to one Te(1), one Te(2), one Te(3), and one Te(4) atom to form corner-sharing GaTe4 tetrahedra. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one Ga(1), and one Ga(2) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one Ga(1), and one Ga(2) atom. In the third Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Ga(1), and one Ga(2) atom. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Ga(2) atoms. In the fifth Te site, Te(5) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_KGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.402
_cell_length_b   8.402
_cell_length_c   16.650
_cell_angle_alpha   82.788
_cell_angle_beta   82.788
_cell_angle_gamma   90.068
_symmetry_Int_Tables_number   1
_cell_volume   1156.645
_cell_formula_units_Z   8
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
  K  K0  1  0.346  0.220  0.618  1.0
  K  K1  1  0.780  0.654  0.882  1.0
  K  K2  1  0.654  0.780  0.382  1.0
  K  K3  1  0.220  0.346  0.118  1.0
  K  K4  1  0.779  0.151  0.892  1.0
  K  K5  1  0.849  0.221  0.608  1.0
  K  K6  1  0.221  0.849  0.108  1.0
  K  K7  1  0.151  0.779  0.392  1.0
  Ga  Ga8  1  0.582  0.709  0.663  1.0
  Ga  Ga9  1  0.291  0.418  0.837  1.0
  Ga  Ga10  1  0.418  0.291  0.337  1.0
  Ga  Ga11  1  0.709  0.582  0.163  1.0
  Ga  Ga12  1  0.291  0.913  0.837  1.0
  Ga  Ga13  1  0.087  0.709  0.663  1.0
  Ga  Ga14  1  0.709  0.087  0.163  1.0
  Ga  Ga15  1  0.913  0.291  0.337  1.0
  Te  Te16  1  0.360  0.734  0.564  1.0
  Te  Te17  1  0.266  0.640  0.936  1.0
  Te  Te18  1  0.640  0.266  0.436  1.0
  Te  Te19  1  0.734  0.360  0.064  1.0
  Te  Te20  1  0.573  0.949  0.750  1.0
  Te  Te21  1  0.051  0.427  0.750  1.0
  Te  Te22  1  0.427  0.051  0.250  1.0
  Te  Te23  1  0.949  0.573  0.250  1.0
  Te  Te24  1  0.267  0.143  0.933  1.0
  Te  Te25  1  0.857  0.733  0.567  1.0
  Te  Te26  1  0.733  0.857  0.067  1.0
  Te  Te27  1  0.143  0.267  0.433  1.0
  Te  Te28  1  0.052  0.948  0.750  1.0
  Te  Te29  1  0.948  0.052  0.250  1.0
  Te  Te30  1  0.573  0.427  0.750  1.0
  Te  Te31  1  0.427  0.573  0.250  1.0
[/CIF]
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The compound described by KGaTe2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), one Te(4), one Te(5), and two equivalent Te(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), one Te(4), one Te(5), and two equivalent Te(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(1), one Te(2), one Te(3), and one Te(5) atom to form corner-sharing GaTe4 tetrahedra. In the second Ga site, Ga(2) is bonded to one Te(1), one Te(2), one Te(3), and one Te(4) atom to form corner-sharing GaTe4 tetrahedra. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one Ga(1), and one Ga(2) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one Ga(1), and one Ga(2) atom. In the third Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Ga(1), and one Ga(2) atom. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Ga(2) atoms. In the fifth Te site, Te(5) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_KGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.402
_cell_length_b   8.402
_cell_length_c   16.650
_cell_angle_alpha   82.788
_cell_angle_beta   82.788
_cell_angle_gamma   90.068
_symmetry_Int_Tables_number   1
_cell_volume   1156.645
_cell_formula_units_Z   8
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
  K  K0  1  0.346  0.220  0.618  1.0
  K  K1  1  0.780  0.654  0.882  1.0
  K  K2  1  0.654  0.780  0.382  1.0
  K  K3  1  0.220  0.346  0.118  1.0
  K  K4  1  0.779  0.151  0.892  1.0
  K  K5  1  0.849  0.221  0.608  1.0
  K  K6  1  0.221  0.849  0.108  1.0
  K  K7  1  0.151  0.779  0.392  1.0
  Ga  Ga8  1  0.582  0.709  0.663  1.0
  Ga  Ga9  1  0.291  0.418  0.837  1.0
  Ga  Ga10  1  0.418  0.291  0.337  1.0
  Ga  Ga11  1  0.709  0.582  0.163  1.0
  Ga  Ga12  1  0.291  0.913  0.837  1.0
  Ga  Ga13  1  0.087  0.709  0.663  1.0
  Ga  Ga14  1  0.709  0.087  0.163  1.0
  Ga  Ga15  1  0.913  0.291  0.337  1.0
  Te  Te16  1  0.360  0.734  0.564  1.0
  Te  Te17  1  0.266  0.640  0.936  1.0
  Te  Te18  1  0.640  0.266  0.436  1.0
  Te  Te19  1  0.734  0.360  0.064  1.0
  Te  Te20  1  0.573  0.949  0.750  1.0
  Te  Te21  1  0.051  0.427  0.750  1.0
  Te  Te22  1  0.427  0.051  0.250  1.0
  Te  Te23  1  0.949  0.573  0.250  1.0
  Te  Te24  1  0.267  0.143  0.933  1.0
  Te  Te25  1  0.857  0.733  0.567  1.0
  Te  Te26  1  0.733  0.857  0.067  1.0
  Te  Te27  1  0.143  0.267  0.433  1.0
  Te  Te28  1  0.052  0.948  0.750  1.0
  Te  Te29  1  0.948  0.052  0.250  1.0
  Te  Te30  1  0.573  0.427  0.750  1.0
  Te  Te31  1  0.427  0.573  0.250  1.0
[/CIF]
.