The crystal structure described by Gd3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. Gd(1) is bonded in a 8-coordinate geometry to four equivalent C(1) and four equivalent C(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent C(1) atoms to form face-sharing MnC6 octahedra. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to three equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 7-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), and one C(2) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to four equivalent Gd(1), one Mn(2), and one C(1) atom. is represented by the CIF card [CIF]
data_Gd3(MnC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.139
_cell_length_c   5.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   289.249
_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
  Gd  Gd0  1  0.618  0.685  0.750  1.0
  Gd  Gd1  1  0.932  0.618  0.250  1.0
  Gd  Gd2  1  0.685  0.068  0.250  1.0
  Gd  Gd3  1  0.315  0.932  0.750  1.0
  Gd  Gd4  1  0.068  0.382  0.750  1.0
  Gd  Gd5  1  0.382  0.315  0.250  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  Mn  Mn8  1  0.667  0.333  0.750  1.0
  Mn  Mn9  1  0.333  0.667  0.250  1.0
  C  C10  1  0.964  0.771  0.750  1.0
  C  C11  1  0.193  0.964  0.250  1.0
  C  C12  1  0.771  0.807  0.250  1.0
  C  C13  1  0.229  0.193  0.750  1.0
  C  C14  1  0.807  0.036  0.750  1.0
  C  C15  1  0.036  0.229  0.250  1.0
  C  C16  1  0.860  0.577  0.750  1.0
  C  C17  1  0.283  0.860  0.250  1.0
  C  C18  1  0.577  0.717  0.250  1.0
  C  C19  1  0.423  0.283  0.750  1.0
  C  C20  1  0.140  0.423  0.250  1.0
  C  C21  1  0.717  0.140  0.750  1.0
[/CIF]
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The crystal structure described by Gd3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. Gd(1) is bonded in a 8-coordinate geometry to four equivalent C(1) and four equivalent C(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent C(1) atoms to form face-sharing MnC6 octahedra. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to three equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 7-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), and one C(2) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to four equivalent Gd(1), one Mn(2), and one C(1) atom. is represented by the CIF card [CIF]
data_Gd3(MnC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.139
_cell_length_c   5.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   289.249
_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
  Gd  Gd0  1  0.618  0.685  0.750  1.0
  Gd  Gd1  1  0.932  0.618  0.250  1.0
  Gd  Gd2  1  0.685  0.068  0.250  1.0
  Gd  Gd3  1  0.315  0.932  0.750  1.0
  Gd  Gd4  1  0.068  0.382  0.750  1.0
  Gd  Gd5  1  0.382  0.315  0.250  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  Mn  Mn8  1  0.667  0.333  0.750  1.0
  Mn  Mn9  1  0.333  0.667  0.250  1.0
  C  C10  1  0.964  0.771  0.750  1.0
  C  C11  1  0.193  0.964  0.250  1.0
  C  C12  1  0.771  0.807  0.250  1.0
  C  C13  1  0.229  0.193  0.750  1.0
  C  C14  1  0.807  0.036  0.750  1.0
  C  C15  1  0.036  0.229  0.250  1.0
  C  C16  1  0.860  0.577  0.750  1.0
  C  C17  1  0.283  0.860  0.250  1.0
  C  C18  1  0.577  0.717  0.250  1.0
  C  C19  1  0.423  0.283  0.750  1.0
  C  C20  1  0.140  0.423  0.250  1.0
  C  C21  1  0.717  0.140  0.750  1.0
[/CIF]
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