The structure described by BaZn5 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 21-coordinate geometry to two equivalent Ba(1), three equivalent Zn(2), eight equivalent Zn(1), and eight equivalent Zn(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(3) is bonded in a 11-coordinate geometry to four equivalent Ba(1), one Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to four equivalent Ba(1), two equivalent Zn(1), two equivalent Zn(2), and four equivalent Zn(3) atoms. In the third Zn site, Zn(2) is bonded in a 11-coordinate geometry to three equivalent Ba(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   6.804
_cell_length_c   6.804
_cell_angle_alpha   104.984
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.430
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.750  0.336  0.336  1.0
  Ba  Ba1  1  0.250  0.664  0.664  1.0
  Zn  Zn2  1  0.500  0.202  0.798  1.0
  Zn  Zn3  1  0.000  0.798  0.202  1.0
  Zn  Zn4  1  0.250  0.080  0.080  1.0
  Zn  Zn5  1  0.750  0.920  0.920  1.0
  Zn  Zn6  1  0.250  0.467  0.078  1.0
  Zn  Zn7  1  0.750  0.533  0.922  1.0
  Zn  Zn8  1  0.250  0.078  0.467  1.0
  Zn  Zn9  1  0.750  0.922  0.533  1.0
  Zn  Zn10  1  1.000  0.202  0.798  1.0
  Zn  Zn11  1  0.500  0.798  0.202  1.0
[/CIF]
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The structure described by BaZn5 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 21-coordinate geometry to two equivalent Ba(1), three equivalent Zn(2), eight equivalent Zn(1), and eight equivalent Zn(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(3) is bonded in a 11-coordinate geometry to four equivalent Ba(1), one Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to four equivalent Ba(1), two equivalent Zn(1), two equivalent Zn(2), and four equivalent Zn(3) atoms. In the third Zn site, Zn(2) is bonded in a 11-coordinate geometry to three equivalent Ba(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   6.804
_cell_length_c   6.804
_cell_angle_alpha   104.984
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.430
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.750  0.336  0.336  1.0
  Ba  Ba1  1  0.250  0.664  0.664  1.0
  Zn  Zn2  1  0.500  0.202  0.798  1.0
  Zn  Zn3  1  0.000  0.798  0.202  1.0
  Zn  Zn4  1  0.250  0.080  0.080  1.0
  Zn  Zn5  1  0.750  0.920  0.920  1.0
  Zn  Zn6  1  0.250  0.467  0.078  1.0
  Zn  Zn7  1  0.750  0.533  0.922  1.0
  Zn  Zn8  1  0.250  0.078  0.467  1.0
  Zn  Zn9  1  0.750  0.922  0.533  1.0
  Zn  Zn10  1  1.000  0.202  0.798  1.0
  Zn  Zn11  1  0.500  0.798  0.202  1.0
[/CIF]
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