The compound described by MnGa6 crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a distorted q6 geometry to two equivalent Ga(2), four equivalent Ga(1), and four equivalent Ga(3) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 11-coordinate geometry to one Mn(1), two equivalent Ga(2), four equivalent Ga(1), and four equivalent Ga(3) atoms. In the second Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_MnGa6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   5.021
_cell_length_c   8.911
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.424
_symmetry_Int_Tables_number   1
_cell_volume   222.224
_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  0.447  0.447  0.250  1.0
  Mn  Mn1  1  0.553  0.553  0.750  1.0
  Ga  Ga2  1  0.674  0.326  0.500  1.0
  Ga  Ga3  1  0.674  0.326  0.000  1.0
  Ga  Ga4  1  0.326  0.674  0.500  1.0
  Ga  Ga5  1  0.326  0.674  0.000  1.0
  Ga  Ga6  1  0.132  0.132  0.400  1.0
  Ga  Ga7  1  0.868  0.868  0.600  1.0
  Ga  Ga8  1  0.132  0.132  0.100  1.0
  Ga  Ga9  1  0.868  0.868  0.900  1.0
  Ga  Ga10  1  0.958  0.599  0.250  1.0
  Ga  Ga11  1  0.401  0.042  0.750  1.0
  Ga  Ga12  1  0.042  0.401  0.750  1.0
  Ga  Ga13  1  0.599  0.958  0.250  1.0
[/CIF]
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The compound described by MnGa6 crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a distorted q6 geometry to two equivalent Ga(2), four equivalent Ga(1), and four equivalent Ga(3) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 11-coordinate geometry to one Mn(1), two equivalent Ga(2), four equivalent Ga(1), and four equivalent Ga(3) atoms. In the second Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_MnGa6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   5.021
_cell_length_c   8.911
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.424
_symmetry_Int_Tables_number   1
_cell_volume   222.224
_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  0.447  0.447  0.250  1.0
  Mn  Mn1  1  0.553  0.553  0.750  1.0
  Ga  Ga2  1  0.674  0.326  0.500  1.0
  Ga  Ga3  1  0.674  0.326  0.000  1.0
  Ga  Ga4  1  0.326  0.674  0.500  1.0
  Ga  Ga5  1  0.326  0.674  0.000  1.0
  Ga  Ga6  1  0.132  0.132  0.400  1.0
  Ga  Ga7  1  0.868  0.868  0.600  1.0
  Ga  Ga8  1  0.132  0.132  0.100  1.0
  Ga  Ga9  1  0.868  0.868  0.900  1.0
  Ga  Ga10  1  0.958  0.599  0.250  1.0
  Ga  Ga11  1  0.401  0.042  0.750  1.0
  Ga  Ga12  1  0.042  0.401  0.750  1.0
  Ga  Ga13  1  0.599  0.958  0.250  1.0
[/CIF]
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