The material structure described by Zn4B6O13 crystallizes in the cubic I-43m space group. Zn(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted ZnO4 trigonal pyramids that share corners with six equivalent B(1)O4 tetrahedra and corners with three equivalent Zn(1)O4 trigonal pyramids. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent B(1)O4 tetrahedra and corners with four equivalent Zn(1)O4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded in a tetrahedral geometry to four equivalent Zn(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn4B6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.470
_cell_length_b   6.470
_cell_length_c   6.470
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   208.463
_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
  Zn  Zn0  1  0.695  0.695  0.695  1.0
  Zn  Zn1  1  0.000  0.305  0.000  1.0
  Zn  Zn2  1  0.305  0.000  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.305  1.0
  B  B4  1  0.250  0.500  0.750  1.0
  B  B5  1  0.750  0.250  0.500  1.0
  B  B6  1  0.250  0.750  0.500  1.0
  B  B7  1  0.500  0.750  0.250  1.0
  B  B8  1  0.500  0.250  0.750  1.0
  B  B9  1  0.750  0.500  0.250  1.0
  O  O10  1  0.725  0.725  0.280  1.0
  O  O11  1  0.275  0.555  0.000  1.0
  O  O12  1  0.445  0.720  0.445  1.0
  O  O13  1  0.555  0.275  0.000  1.0
  O  O14  1  0.000  0.555  0.275  1.0
  O  O15  1  0.720  0.445  0.445  1.0
  O  O16  1  0.280  0.725  0.725  1.0
  O  O17  1  0.725  0.280  0.725  1.0
  O  O18  1  0.275  0.000  0.555  1.0
  O  O19  1  0.000  0.275  0.555  1.0
  O  O20  1  0.445  0.445  0.720  1.0
  O  O21  1  0.555  0.000  0.275  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Zn4B6O13 crystallizes in the cubic I-43m space group. Zn(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted ZnO4 trigonal pyramids that share corners with six equivalent B(1)O4 tetrahedra and corners with three equivalent Zn(1)O4 trigonal pyramids. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent B(1)O4 tetrahedra and corners with four equivalent Zn(1)O4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded in a tetrahedral geometry to four equivalent Zn(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn4B6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.470
_cell_length_b   6.470
_cell_length_c   6.470
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   208.463
_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
  Zn  Zn0  1  0.695  0.695  0.695  1.0
  Zn  Zn1  1  0.000  0.305  0.000  1.0
  Zn  Zn2  1  0.305  0.000  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.305  1.0
  B  B4  1  0.250  0.500  0.750  1.0
  B  B5  1  0.750  0.250  0.500  1.0
  B  B6  1  0.250  0.750  0.500  1.0
  B  B7  1  0.500  0.750  0.250  1.0
  B  B8  1  0.500  0.250  0.750  1.0
  B  B9  1  0.750  0.500  0.250  1.0
  O  O10  1  0.725  0.725  0.280  1.0
  O  O11  1  0.275  0.555  0.000  1.0
  O  O12  1  0.445  0.720  0.445  1.0
  O  O13  1  0.555  0.275  0.000  1.0
  O  O14  1  0.000  0.555  0.275  1.0
  O  O15  1  0.720  0.445  0.445  1.0
  O  O16  1  0.280  0.725  0.725  1.0
  O  O17  1  0.725  0.280  0.725  1.0
  O  O18  1  0.275  0.000  0.555  1.0
  O  O19  1  0.000  0.275  0.555  1.0
  O  O20  1  0.445  0.445  0.720  1.0
  O  O21  1  0.555  0.000  0.275  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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