The material described by GdMn12 crystallizes in the monoclinic Cm space group. Gd(1) is bonded in a 20-coordinate geometry to one Mn(1), one Mn(10), one Mn(7), one Mn(8), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), two equivalent Mn(6), four equivalent Mn(5), and four equivalent Mn(9) atoms. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(3), one Mn(4), one Mn(8), two equivalent Mn(10), two equivalent Mn(2), two equivalent Mn(5), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the second Mn site, Mn(2) is bonded to two equivalent Gd(1), one Mn(10), one Mn(3), one Mn(4), one Mn(7), two equivalent Mn(1), two equivalent Mn(5), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the third Mn site, Mn(3) is bonded to two equivalent Gd(1), one Mn(1), one Mn(2), one Mn(6), one Mn(8), two equivalent Mn(10), two equivalent Mn(5), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent Gd(1), one Mn(1), one Mn(2), one Mn(6), one Mn(8), two equivalent Mn(5), two equivalent Mn(7), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the fifth Mn site, Mn(5) is bonded to two equivalent Gd(1), one Mn(1), one Mn(10), one Mn(2), one Mn(3), one Mn(4), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(5) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the sixth Mn site, Mn(6) is bonded to two equivalent Gd(1), one Mn(10), one Mn(3), one Mn(4), one Mn(7), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the seventh Mn site, Mn(7) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(10), one Mn(2), one Mn(6), two equivalent Mn(1), two equivalent Mn(4), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms. In the eighth Mn site, Mn(8) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(1), one Mn(3), one Mn(4), two equivalent Mn(10), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the ninth Mn site, Mn(9) is bonded to two equivalent Gd(1), one Mn(1), one Mn(10), one Mn(2), one Mn(3), one Mn(4), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the tenth Mn site, Mn(10) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(2), one Mn(6), one Mn(7), two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms. is represented by the CIF card [CIF]
data_GdMn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.625
_cell_length_b   6.317
_cell_length_c   6.321
_cell_angle_alpha   82.223
_cell_angle_beta   68.527
_cell_angle_gamma   68.506
_symmetry_Int_Tables_number   1
_cell_volume   159.925
_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  0.006  1.000  0.998  1.0
  Mn  Mn1  1  0.006  0.361  0.637  1.0
  Mn  Mn2  1  0.506  0.227  0.771  1.0
  Mn  Mn3  1  0.277  0.229  0.228  1.0
  Mn  Mn4  1  0.735  0.771  0.770  1.0
  Mn  Mn5  1  0.505  1.000  0.500  1.0
  Mn  Mn6  1  0.506  0.772  0.226  1.0
  Mn  Mn7  1  0.367  0.638  0.637  1.0
  Mn  Mn8  1  0.005  0.637  0.362  1.0
  Mn  Mn9  1  0.508  0.500  0.995  1.0
  Mn  Mn10  1  0.642  0.363  0.363  1.0
  Mn  Mn11  1  0.008  0.500  0.995  1.0
  Mn  Mn12  1  0.005  1.000  0.500  1.0
[/CIF]
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The material described by GdMn12 crystallizes in the monoclinic Cm space group. Gd(1) is bonded in a 20-coordinate geometry to one Mn(1), one Mn(10), one Mn(7), one Mn(8), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), two equivalent Mn(6), four equivalent Mn(5), and four equivalent Mn(9) atoms. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(3), one Mn(4), one Mn(8), two equivalent Mn(10), two equivalent Mn(2), two equivalent Mn(5), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the second Mn site, Mn(2) is bonded to two equivalent Gd(1), one Mn(10), one Mn(3), one Mn(4), one Mn(7), two equivalent Mn(1), two equivalent Mn(5), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the third Mn site, Mn(3) is bonded to two equivalent Gd(1), one Mn(1), one Mn(2), one Mn(6), one Mn(8), two equivalent Mn(10), two equivalent Mn(5), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent Gd(1), one Mn(1), one Mn(2), one Mn(6), one Mn(8), two equivalent Mn(5), two equivalent Mn(7), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the fifth Mn site, Mn(5) is bonded to two equivalent Gd(1), one Mn(1), one Mn(10), one Mn(2), one Mn(3), one Mn(4), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(5) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the sixth Mn site, Mn(6) is bonded to two equivalent Gd(1), one Mn(10), one Mn(3), one Mn(4), one Mn(7), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the seventh Mn site, Mn(7) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(10), one Mn(2), one Mn(6), two equivalent Mn(1), two equivalent Mn(4), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms. In the eighth Mn site, Mn(8) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(1), one Mn(3), one Mn(4), two equivalent Mn(10), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the ninth Mn site, Mn(9) is bonded to two equivalent Gd(1), one Mn(1), one Mn(10), one Mn(2), one Mn(3), one Mn(4), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the tenth Mn site, Mn(10) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(2), one Mn(6), one Mn(7), two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms. is represented by the CIF card [CIF]
data_GdMn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.625
_cell_length_b   6.317
_cell_length_c   6.321
_cell_angle_alpha   82.223
_cell_angle_beta   68.527
_cell_angle_gamma   68.506
_symmetry_Int_Tables_number   1
_cell_volume   159.925
_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  0.006  1.000  0.998  1.0
  Mn  Mn1  1  0.006  0.361  0.637  1.0
  Mn  Mn2  1  0.506  0.227  0.771  1.0
  Mn  Mn3  1  0.277  0.229  0.228  1.0
  Mn  Mn4  1  0.735  0.771  0.770  1.0
  Mn  Mn5  1  0.505  1.000  0.500  1.0
  Mn  Mn6  1  0.506  0.772  0.226  1.0
  Mn  Mn7  1  0.367  0.638  0.637  1.0
  Mn  Mn8  1  0.005  0.637  0.362  1.0
  Mn  Mn9  1  0.508  0.500  0.995  1.0
  Mn  Mn10  1  0.642  0.363  0.363  1.0
  Mn  Mn11  1  0.008  0.500  0.995  1.0
  Mn  Mn12  1  0.005  1.000  0.500  1.0
[/CIF]
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