The material described by Mg6GaC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to two equivalent Ga(1) and one C(1) atom. In the second Mg site, Mg(2) is bonded in an L-shaped geometry to two equivalent Ga(1) and two equivalent C(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted L-shaped geometry to two equivalent Ga(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Ga(1) and two equivalent C(1) atoms. Ga(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of distorted face and corner-sharing GaMg12 cuboctahedra. C(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg6GaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.342
_cell_length_b   6.342
_cell_length_c   3.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.929
_symmetry_Int_Tables_number   1
_cell_volume   152.453
_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
  Mg  Mg0  1  0.388  0.096  0.500  1.0
  Mg  Mg1  1  0.904  0.612  0.500  1.0
  Mg  Mg2  1  0.208  0.439  0.000  1.0
  Mg  Mg3  1  0.561  0.792  0.000  1.0
  Mg  Mg4  1  0.681  0.319  0.000  1.0
  Mg  Mg5  1  0.110  0.890  0.000  1.0
  Ga  Ga6  1  0.888  0.112  0.500  1.0
  C  C7  1  0.260  0.740  0.500  1.0
[/CIF]
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The material described by Mg6GaC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to two equivalent Ga(1) and one C(1) atom. In the second Mg site, Mg(2) is bonded in an L-shaped geometry to two equivalent Ga(1) and two equivalent C(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted L-shaped geometry to two equivalent Ga(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Ga(1) and two equivalent C(1) atoms. Ga(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of distorted face and corner-sharing GaMg12 cuboctahedra. C(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg6GaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.342
_cell_length_b   6.342
_cell_length_c   3.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.929
_symmetry_Int_Tables_number   1
_cell_volume   152.453
_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
  Mg  Mg0  1  0.388  0.096  0.500  1.0
  Mg  Mg1  1  0.904  0.612  0.500  1.0
  Mg  Mg2  1  0.208  0.439  0.000  1.0
  Mg  Mg3  1  0.561  0.792  0.000  1.0
  Mg  Mg4  1  0.681  0.319  0.000  1.0
  Mg  Mg5  1  0.110  0.890  0.000  1.0
  Ga  Ga6  1  0.888  0.112  0.500  1.0
  C  C7  1  0.260  0.740  0.500  1.0
[/CIF]
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