The material described by YbMn28 is alpha-derived structured and crystallizes in the cubic I-43m space group. Yb(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1) and twelve equivalent Mn(3) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to one Yb(1), six equivalent Mn(2), and nine equivalent Mn(3) atoms. In the second Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Yb(1), three equivalent Mn(1), three equivalent Mn(3), and five equivalent Mn(2) atoms. In the third Mn site, Mn(2) is bonded in a 13-coordinate geometry to two equivalent Mn(1), five equivalent Mn(3), and six equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_YbMn28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.543
_cell_length_b   7.543
_cell_length_c   7.543
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   330.432
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.626  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.626  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.626  1.0
  Mn  Mn4  1  0.374  0.374  0.374  1.0
  Mn  Mn5  1  0.393  0.678  0.000  1.0
  Mn  Mn6  1  0.714  0.322  0.322  1.0
  Mn  Mn7  1  0.393  0.000  0.678  1.0
  Mn  Mn8  1  0.678  0.393  0.000  1.0
  Mn  Mn9  1  0.000  0.393  0.678  1.0
  Mn  Mn10  1  0.322  0.714  0.322  1.0
  Mn  Mn11  1  0.322  0.322  0.714  1.0
  Mn  Mn12  1  0.000  0.678  0.393  1.0
  Mn  Mn13  1  0.678  0.000  0.393  1.0
  Mn  Mn14  1  0.607  0.607  0.286  1.0
  Mn  Mn15  1  0.286  0.607  0.607  1.0
  Mn  Mn16  1  0.607  0.286  0.607  1.0
  Mn  Mn17  1  0.377  0.199  0.000  1.0
  Mn  Mn18  1  0.179  0.801  0.801  1.0
  Mn  Mn19  1  0.377  0.000  0.199  1.0
  Mn  Mn20  1  0.199  0.377  0.000  1.0
  Mn  Mn21  1  0.000  0.377  0.199  1.0
  Mn  Mn22  1  0.801  0.179  0.801  1.0
  Mn  Mn23  1  0.801  0.801  0.179  1.0
  Mn  Mn24  1  0.000  0.199  0.377  1.0
  Mn  Mn25  1  0.199  0.000  0.377  1.0
  Mn  Mn26  1  0.623  0.623  0.821  1.0
  Mn  Mn27  1  0.821  0.623  0.623  1.0
  Mn  Mn28  1  0.623  0.821  0.623  1.0
[/CIF]
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The material described by YbMn28 is alpha-derived structured and crystallizes in the cubic I-43m space group. Yb(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1) and twelve equivalent Mn(3) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to one Yb(1), six equivalent Mn(2), and nine equivalent Mn(3) atoms. In the second Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Yb(1), three equivalent Mn(1), three equivalent Mn(3), and five equivalent Mn(2) atoms. In the third Mn site, Mn(2) is bonded in a 13-coordinate geometry to two equivalent Mn(1), five equivalent Mn(3), and six equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_YbMn28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.543
_cell_length_b   7.543
_cell_length_c   7.543
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   330.432
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.626  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.626  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.626  1.0
  Mn  Mn4  1  0.374  0.374  0.374  1.0
  Mn  Mn5  1  0.393  0.678  0.000  1.0
  Mn  Mn6  1  0.714  0.322  0.322  1.0
  Mn  Mn7  1  0.393  0.000  0.678  1.0
  Mn  Mn8  1  0.678  0.393  0.000  1.0
  Mn  Mn9  1  0.000  0.393  0.678  1.0
  Mn  Mn10  1  0.322  0.714  0.322  1.0
  Mn  Mn11  1  0.322  0.322  0.714  1.0
  Mn  Mn12  1  0.000  0.678  0.393  1.0
  Mn  Mn13  1  0.678  0.000  0.393  1.0
  Mn  Mn14  1  0.607  0.607  0.286  1.0
  Mn  Mn15  1  0.286  0.607  0.607  1.0
  Mn  Mn16  1  0.607  0.286  0.607  1.0
  Mn  Mn17  1  0.377  0.199  0.000  1.0
  Mn  Mn18  1  0.179  0.801  0.801  1.0
  Mn  Mn19  1  0.377  0.000  0.199  1.0
  Mn  Mn20  1  0.199  0.377  0.000  1.0
  Mn  Mn21  1  0.000  0.377  0.199  1.0
  Mn  Mn22  1  0.801  0.179  0.801  1.0
  Mn  Mn23  1  0.801  0.801  0.179  1.0
  Mn  Mn24  1  0.000  0.199  0.377  1.0
  Mn  Mn25  1  0.199  0.000  0.377  1.0
  Mn  Mn26  1  0.623  0.623  0.821  1.0
  Mn  Mn27  1  0.821  0.623  0.623  1.0
  Mn  Mn28  1  0.623  0.821  0.623  1.0
[/CIF]
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