The compound described by Mg2MnGa3 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Mg(1), three equivalent Mn(1), three equivalent Ga(2), and six equivalent Ga(1) atoms. Mn(1) is bonded in a 12-coordinate geometry to six equivalent Mg(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 12-coordinate geometry to six equivalent Mg(1), two equivalent Mn(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to six equivalent Mg(1), two equivalent Mn(1), and four equivalent Ga(1) atoms to form a mixture of distorted edge and face-sharing GaMg6Mn2Ga4 cuboctahedra. is represented by the CIF file [CIF]
data_Mg2MnGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.135
_cell_length_c   8.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.242
_symmetry_Int_Tables_number   1
_cell_volume   202.821
_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
  Mg  Mg0  1  0.674  0.326  0.066  1.0
  Mg  Mg1  1  0.326  0.674  0.934  1.0
  Mg  Mg2  1  0.326  0.674  0.566  1.0
  Mg  Mg3  1  0.674  0.326  0.434  1.0
  Mn  Mn4  1  0.835  0.165  0.750  1.0
  Mn  Mn5  1  0.165  0.835  0.250  1.0
  Ga  Ga6  1  0.820  0.652  0.750  1.0
  Ga  Ga7  1  0.180  0.348  0.250  1.0
  Ga  Ga8  1  0.348  0.180  0.750  1.0
  Ga  Ga9  1  0.652  0.820  0.250  1.0
  Ga  Ga10  1  0.000  0.000  0.500  1.0
  Ga  Ga11  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Mg2MnGa3 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Mg(1), three equivalent Mn(1), three equivalent Ga(2), and six equivalent Ga(1) atoms. Mn(1) is bonded in a 12-coordinate geometry to six equivalent Mg(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 12-coordinate geometry to six equivalent Mg(1), two equivalent Mn(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to six equivalent Mg(1), two equivalent Mn(1), and four equivalent Ga(1) atoms to form a mixture of distorted edge and face-sharing GaMg6Mn2Ga4 cuboctahedra. is represented by the CIF file [CIF]
data_Mg2MnGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.135
_cell_length_c   8.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.242
_symmetry_Int_Tables_number   1
_cell_volume   202.821
_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
  Mg  Mg0  1  0.674  0.326  0.066  1.0
  Mg  Mg1  1  0.326  0.674  0.934  1.0
  Mg  Mg2  1  0.326  0.674  0.566  1.0
  Mg  Mg3  1  0.674  0.326  0.434  1.0
  Mn  Mn4  1  0.835  0.165  0.750  1.0
  Mn  Mn5  1  0.165  0.835  0.250  1.0
  Ga  Ga6  1  0.820  0.652  0.750  1.0
  Ga  Ga7  1  0.180  0.348  0.250  1.0
  Ga  Ga8  1  0.348  0.180  0.750  1.0
  Ga  Ga9  1  0.652  0.820  0.250  1.0
  Ga  Ga10  1  0.000  0.000  0.500  1.0
  Ga  Ga11  1  0.000  0.000  0.000  1.0
[/CIF]
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