The compound described by MnZn13 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. Mn(1) is bonded to two equivalent Zn(2), two equivalent Zn(5), four equivalent Zn(3), and four equivalent Zn(4) atoms to form MnZn12 cuboctahedra that share corners with two equivalent Mn(1)Zn12 cuboctahedra and faces with two equivalent Zn(5)Mn2Zn10 cuboctahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to one Zn(1), one Zn(2), four equivalent Zn(3), and four equivalent Zn(4) atoms. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to one Mn(1), one Zn(1), one Zn(5), four equivalent Zn(3), and four equivalent Zn(4) atoms. In the third Zn site, Zn(3) is bonded in a 11-coordinate geometry to one Mn(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and three equivalent Zn(4) atoms. In the fourth Zn site, Zn(4) is bonded in a 11-coordinate geometry to one Mn(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), and three equivalent Zn(3) atoms. In the fifth Zn site, Zn(5) is bonded to two equivalent Mn(1), two equivalent Zn(2), four equivalent Zn(3), and four equivalent Zn(4) atoms to form ZnMn2Zn10 cuboctahedra that share corners with two equivalent Zn(5)Mn2Zn10 cuboctahedra and faces with two equivalent Mn(1)Zn12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   6.529
_cell_length_c   5.454
_cell_angle_alpha   80.262
_cell_angle_beta   80.262
_cell_angle_gamma   71.242
_symmetry_Int_Tables_number   1
_cell_volume   215.318
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.613  0.613  0.066  1.0
  Zn  Zn2  1  0.387  0.387  0.934  1.0
  Zn  Zn3  1  0.768  0.768  0.372  1.0
  Zn  Zn4  1  0.232  0.232  0.628  1.0
  Zn  Zn5  1  0.618  0.215  0.311  1.0
  Zn  Zn6  1  0.382  0.785  0.689  1.0
  Zn  Zn7  1  0.785  0.382  0.689  1.0
  Zn  Zn8  1  0.215  0.618  0.311  1.0
  Zn  Zn9  1  0.360  0.993  0.197  1.0
  Zn  Zn10  1  0.640  0.007  0.803  1.0
  Zn  Zn11  1  0.007  0.640  0.803  1.0
  Zn  Zn12  1  0.993  0.360  0.197  1.0
  Zn  Zn13  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by MnZn13 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. Mn(1) is bonded to two equivalent Zn(2), two equivalent Zn(5), four equivalent Zn(3), and four equivalent Zn(4) atoms to form MnZn12 cuboctahedra that share corners with two equivalent Mn(1)Zn12 cuboctahedra and faces with two equivalent Zn(5)Mn2Zn10 cuboctahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to one Zn(1), one Zn(2), four equivalent Zn(3), and four equivalent Zn(4) atoms. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to one Mn(1), one Zn(1), one Zn(5), four equivalent Zn(3), and four equivalent Zn(4) atoms. In the third Zn site, Zn(3) is bonded in a 11-coordinate geometry to one Mn(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and three equivalent Zn(4) atoms. In the fourth Zn site, Zn(4) is bonded in a 11-coordinate geometry to one Mn(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), and three equivalent Zn(3) atoms. In the fifth Zn site, Zn(5) is bonded to two equivalent Mn(1), two equivalent Zn(2), four equivalent Zn(3), and four equivalent Zn(4) atoms to form ZnMn2Zn10 cuboctahedra that share corners with two equivalent Zn(5)Mn2Zn10 cuboctahedra and faces with two equivalent Mn(1)Zn12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   6.529
_cell_length_c   5.454
_cell_angle_alpha   80.262
_cell_angle_beta   80.262
_cell_angle_gamma   71.242
_symmetry_Int_Tables_number   1
_cell_volume   215.318
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.613  0.613  0.066  1.0
  Zn  Zn2  1  0.387  0.387  0.934  1.0
  Zn  Zn3  1  0.768  0.768  0.372  1.0
  Zn  Zn4  1  0.232  0.232  0.628  1.0
  Zn  Zn5  1  0.618  0.215  0.311  1.0
  Zn  Zn6  1  0.382  0.785  0.689  1.0
  Zn  Zn7  1  0.785  0.382  0.689  1.0
  Zn  Zn8  1  0.215  0.618  0.311  1.0
  Zn  Zn9  1  0.360  0.993  0.197  1.0
  Zn  Zn10  1  0.640  0.007  0.803  1.0
  Zn  Zn11  1  0.007  0.640  0.803  1.0
  Zn  Zn12  1  0.993  0.360  0.197  1.0
  Zn  Zn13  1  0.000  0.000  0.500  1.0
[/CIF]
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