The material described by Gd6Mn23 crystallizes in the cubic Fm-3m space group. Gd(1) is bonded in a 12-coordinate geometry to four equivalent Mn(2), four equivalent Mn(3), and four equivalent Mn(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(4) is bonded in a distorted q6 geometry to three equivalent Gd(1), three equivalent Mn(2), three equivalent Mn(3), and three equivalent Mn(4) atoms. In the second Mn site, Mn(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(3) atoms. In the third Mn site, Mn(2) is bonded to four equivalent Gd(1), four equivalent Mn(3), and four equivalent Mn(4) atoms to form a mixture of corner and face-sharing MnGd4Mn8 cuboctahedra. In the fourth Mn site, Mn(3) is bonded in a 13-coordinate geometry to three equivalent Gd(1), one Mn(1), three equivalent Mn(2), three equivalent Mn(3), and three equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Gd6Mn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.603
_cell_length_b   8.603
_cell_length_c   8.603
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   450.224
_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
  Gd  Gd0  1  0.710  0.710  0.290  1.0
  Gd  Gd1  1  0.290  0.710  0.290  1.0
  Gd  Gd2  1  0.710  0.290  0.290  1.0
  Gd  Gd3  1  0.290  0.290  0.710  1.0
  Gd  Gd4  1  0.710  0.290  0.710  1.0
  Gd  Gd5  1  0.290  0.710  0.710  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.500  1.0
  Mn  Mn8  1  0.500  0.000  0.500  1.0
  Mn  Mn9  1  0.000  0.500  0.500  1.0
  Mn  Mn10  1  0.500  0.500  0.000  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  Mn  Mn12  1  0.500  0.000  0.000  1.0
  Mn  Mn13  1  0.881  0.881  0.358  1.0
  Mn  Mn14  1  0.881  0.358  0.881  1.0
  Mn  Mn15  1  0.358  0.881  0.881  1.0
  Mn  Mn16  1  0.881  0.881  0.881  1.0
  Mn  Mn17  1  0.119  0.119  0.642  1.0
  Mn  Mn18  1  0.119  0.642  0.119  1.0
  Mn  Mn19  1  0.642  0.119  0.119  1.0
  Mn  Mn20  1  0.119  0.119  0.119  1.0
  Mn  Mn21  1  0.677  0.677  0.968  1.0
  Mn  Mn22  1  0.677  0.968  0.677  1.0
  Mn  Mn23  1  0.968  0.677  0.677  1.0
  Mn  Mn24  1  0.677  0.677  0.677  1.0
  Mn  Mn25  1  0.323  0.323  0.032  1.0
  Mn  Mn26  1  0.323  0.032  0.323  1.0
  Mn  Mn27  1  0.032  0.323  0.323  1.0
  Mn  Mn28  1  0.323  0.323  0.323  1.0
[/CIF]
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The material described by Gd6Mn23 crystallizes in the cubic Fm-3m space group. Gd(1) is bonded in a 12-coordinate geometry to four equivalent Mn(2), four equivalent Mn(3), and four equivalent Mn(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(4) is bonded in a distorted q6 geometry to three equivalent Gd(1), three equivalent Mn(2), three equivalent Mn(3), and three equivalent Mn(4) atoms. In the second Mn site, Mn(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(3) atoms. In the third Mn site, Mn(2) is bonded to four equivalent Gd(1), four equivalent Mn(3), and four equivalent Mn(4) atoms to form a mixture of corner and face-sharing MnGd4Mn8 cuboctahedra. In the fourth Mn site, Mn(3) is bonded in a 13-coordinate geometry to three equivalent Gd(1), one Mn(1), three equivalent Mn(2), three equivalent Mn(3), and three equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Gd6Mn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.603
_cell_length_b   8.603
_cell_length_c   8.603
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   450.224
_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
  Gd  Gd0  1  0.710  0.710  0.290  1.0
  Gd  Gd1  1  0.290  0.710  0.290  1.0
  Gd  Gd2  1  0.710  0.290  0.290  1.0
  Gd  Gd3  1  0.290  0.290  0.710  1.0
  Gd  Gd4  1  0.710  0.290  0.710  1.0
  Gd  Gd5  1  0.290  0.710  0.710  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.500  1.0
  Mn  Mn8  1  0.500  0.000  0.500  1.0
  Mn  Mn9  1  0.000  0.500  0.500  1.0
  Mn  Mn10  1  0.500  0.500  0.000  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  Mn  Mn12  1  0.500  0.000  0.000  1.0
  Mn  Mn13  1  0.881  0.881  0.358  1.0
  Mn  Mn14  1  0.881  0.358  0.881  1.0
  Mn  Mn15  1  0.358  0.881  0.881  1.0
  Mn  Mn16  1  0.881  0.881  0.881  1.0
  Mn  Mn17  1  0.119  0.119  0.642  1.0
  Mn  Mn18  1  0.119  0.642  0.119  1.0
  Mn  Mn19  1  0.642  0.119  0.119  1.0
  Mn  Mn20  1  0.119  0.119  0.119  1.0
  Mn  Mn21  1  0.677  0.677  0.968  1.0
  Mn  Mn22  1  0.677  0.968  0.677  1.0
  Mn  Mn23  1  0.968  0.677  0.677  1.0
  Mn  Mn24  1  0.677  0.677  0.677  1.0
  Mn  Mn25  1  0.323  0.323  0.032  1.0
  Mn  Mn26  1  0.323  0.032  0.323  1.0
  Mn  Mn27  1  0.032  0.323  0.323  1.0
  Mn  Mn28  1  0.323  0.323  0.323  1.0
[/CIF]
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