The compound described by Mg2C3 crystallizes in the orthorhombic Pnnm space group. Mg(1) is bonded in a 5-coordinate geometry to one C(2) and four equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent C(1) atoms. In the second C site, C(1) is bonded to four equivalent Mg(1) and one C(2) atom to form a mixture of distorted corner and edge-sharing CMg4C trigonal bipyramids. is represented by the CIF card [CIF]
data_Mg2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.742
_cell_length_b   5.291
_cell_length_c   6.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.680
_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  0.500  0.892  0.209  1.0
  Mg  Mg1  1  0.500  0.108  0.791  1.0
  Mg  Mg2  1  0.000  0.392  0.291  1.0
  Mg  Mg3  1  0.000  0.608  0.709  1.0
  C  C4  1  0.500  0.707  0.882  1.0
  C  C5  1  0.500  0.293  0.118  1.0
  C  C6  1  0.000  0.207  0.618  1.0
  C  C7  1  0.000  0.793  0.382  1.0
  C  C8  1  0.000  0.000  0.500  1.0
  C  C9  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Mg2C3 crystallizes in the orthorhombic Pnnm space group. Mg(1) is bonded in a 5-coordinate geometry to one C(2) and four equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent C(1) atoms. In the second C site, C(1) is bonded to four equivalent Mg(1) and one C(2) atom to form a mixture of distorted corner and edge-sharing CMg4C trigonal bipyramids. is represented by the CIF card [CIF]
data_Mg2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.742
_cell_length_b   5.291
_cell_length_c   6.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.680
_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  0.500  0.892  0.209  1.0
  Mg  Mg1  1  0.500  0.108  0.791  1.0
  Mg  Mg2  1  0.000  0.392  0.291  1.0
  Mg  Mg3  1  0.000  0.608  0.709  1.0
  C  C4  1  0.500  0.707  0.882  1.0
  C  C5  1  0.500  0.293  0.118  1.0
  C  C6  1  0.000  0.207  0.618  1.0
  C  C7  1  0.000  0.793  0.382  1.0
  C  C8  1  0.000  0.000  0.500  1.0
  C  C9  1  0.500  0.500  0.000  1.0
[/CIF]
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