The compound described by Y2Mn5Co12 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a 16-coordinate geometry to one Mn(2), six equivalent Co(1), and nine equivalent Co(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to two equivalent Mn(2), four equivalent Co(1), and four equivalent Co(2) atoms. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to one Y(1), one Mn(2), three equivalent Mn(1), three equivalent Co(2), and six equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Mn(1), two equivalent Mn(2), two equivalent Co(1), and four equivalent Co(2) atoms. In the second Co site, Co(2) is bonded to three equivalent Y(1), one Mn(2), two equivalent Mn(1), two equivalent Co(2), and four equivalent Co(1) atoms to form a mixture of distorted corner, face, and edge-sharing CoY3Mn3Co6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Mn5Co12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   6.244
_cell_length_c   6.244
_cell_angle_alpha   82.963
_cell_angle_beta   82.963
_cell_angle_gamma   82.963
_symmetry_Int_Tables_number   1
_cell_volume   238.351
_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
  Y  Y0  1  0.652  0.652  0.652  1.0
  Y  Y1  1  0.348  0.348  0.348  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.909  0.909  0.909  1.0
  Mn  Mn6  1  0.091  0.091  0.091  1.0
  Co  Co7  1  0.292  0.708  0.000  1.0
  Co  Co8  1  0.708  0.000  0.292  1.0
  Co  Co9  1  0.000  0.292  0.708  1.0
  Co  Co10  1  0.292  0.000  0.708  1.0
  Co  Co11  1  0.000  0.708  0.292  1.0
  Co  Co12  1  0.708  0.292  0.000  1.0
  Co  Co13  1  0.343  0.343  0.858  1.0
  Co  Co14  1  0.343  0.858  0.343  1.0
  Co  Co15  1  0.858  0.343  0.343  1.0
  Co  Co16  1  0.657  0.657  0.142  1.0
  Co  Co17  1  0.657  0.142  0.657  1.0
  Co  Co18  1  0.142  0.657  0.657  1.0
[/CIF]
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The compound described by Y2Mn5Co12 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a 16-coordinate geometry to one Mn(2), six equivalent Co(1), and nine equivalent Co(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to two equivalent Mn(2), four equivalent Co(1), and four equivalent Co(2) atoms. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to one Y(1), one Mn(2), three equivalent Mn(1), three equivalent Co(2), and six equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Mn(1), two equivalent Mn(2), two equivalent Co(1), and four equivalent Co(2) atoms. In the second Co site, Co(2) is bonded to three equivalent Y(1), one Mn(2), two equivalent Mn(1), two equivalent Co(2), and four equivalent Co(1) atoms to form a mixture of distorted corner, face, and edge-sharing CoY3Mn3Co6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Mn5Co12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   6.244
_cell_length_c   6.244
_cell_angle_alpha   82.963
_cell_angle_beta   82.963
_cell_angle_gamma   82.963
_symmetry_Int_Tables_number   1
_cell_volume   238.351
_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
  Y  Y0  1  0.652  0.652  0.652  1.0
  Y  Y1  1  0.348  0.348  0.348  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.909  0.909  0.909  1.0
  Mn  Mn6  1  0.091  0.091  0.091  1.0
  Co  Co7  1  0.292  0.708  0.000  1.0
  Co  Co8  1  0.708  0.000  0.292  1.0
  Co  Co9  1  0.000  0.292  0.708  1.0
  Co  Co10  1  0.292  0.000  0.708  1.0
  Co  Co11  1  0.000  0.708  0.292  1.0
  Co  Co12  1  0.708  0.292  0.000  1.0
  Co  Co13  1  0.343  0.343  0.858  1.0
  Co  Co14  1  0.343  0.858  0.343  1.0
  Co  Co15  1  0.858  0.343  0.343  1.0
  Co  Co16  1  0.657  0.657  0.142  1.0
  Co  Co17  1  0.657  0.142  0.657  1.0
  Co  Co18  1  0.142  0.657  0.657  1.0
[/CIF]
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