The crystal structure described by Zn4B6SeO12 crystallizes in the cubic I-43m space group. Zn(1) is bonded to one Se(1) and three equivalent O(1) atoms to form distorted ZnSeO3 tetrahedra that share corners with three equivalent Zn(1)SeO3 tetrahedra and corners with six equivalent B(1)O4 tetrahedra. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent Zn(1)SeO3 tetrahedra and corners with four equivalent B(1)O4 tetrahedra. Se(1) is bonded in a tetrahedral geometry to four equivalent Zn(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn4B6SeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.717
_cell_length_b   6.717
_cell_length_c   6.717
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   233.298
_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  0.000  0.000  0.355  1.0
  Zn  Zn1  1  0.355  0.000  0.000  1.0
  Zn  Zn2  1  0.000  0.355  0.000  1.0
  Zn  Zn3  1  0.645  0.645  0.645  1.0
  B  B4  1  0.250  0.500  0.750  1.0
  B  B5  1  0.500  0.750  0.250  1.0
  B  B6  1  0.500  0.250  0.750  1.0
  B  B7  1  0.750  0.250  0.500  1.0
  B  B8  1  0.250  0.750  0.500  1.0
  B  B9  1  0.750  0.500  0.250  1.0
  Se  Se10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.715  0.715  0.288  1.0
  O  O12  1  0.574  0.285  0.000  1.0
  O  O13  1  0.285  0.574  0.000  1.0
  O  O14  1  0.426  0.712  0.426  1.0
  O  O15  1  0.574  0.000  0.285  1.0
  O  O16  1  0.000  0.574  0.285  1.0
  O  O17  1  0.712  0.426  0.426  1.0
  O  O18  1  0.288  0.715  0.715  1.0
  O  O19  1  0.715  0.288  0.715  1.0
  O  O20  1  0.285  0.000  0.574  1.0
  O  O21  1  0.000  0.285  0.574  1.0
  O  O22  1  0.426  0.426  0.712  1.0
[/CIF]
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The crystal structure described by Zn4B6SeO12 crystallizes in the cubic I-43m space group. Zn(1) is bonded to one Se(1) and three equivalent O(1) atoms to form distorted ZnSeO3 tetrahedra that share corners with three equivalent Zn(1)SeO3 tetrahedra and corners with six equivalent B(1)O4 tetrahedra. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent Zn(1)SeO3 tetrahedra and corners with four equivalent B(1)O4 tetrahedra. Se(1) is bonded in a tetrahedral geometry to four equivalent Zn(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn4B6SeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.717
_cell_length_b   6.717
_cell_length_c   6.717
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   233.298
_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  0.000  0.000  0.355  1.0
  Zn  Zn1  1  0.355  0.000  0.000  1.0
  Zn  Zn2  1  0.000  0.355  0.000  1.0
  Zn  Zn3  1  0.645  0.645  0.645  1.0
  B  B4  1  0.250  0.500  0.750  1.0
  B  B5  1  0.500  0.750  0.250  1.0
  B  B6  1  0.500  0.250  0.750  1.0
  B  B7  1  0.750  0.250  0.500  1.0
  B  B8  1  0.250  0.750  0.500  1.0
  B  B9  1  0.750  0.500  0.250  1.0
  Se  Se10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.715  0.715  0.288  1.0
  O  O12  1  0.574  0.285  0.000  1.0
  O  O13  1  0.285  0.574  0.000  1.0
  O  O14  1  0.426  0.712  0.426  1.0
  O  O15  1  0.574  0.000  0.285  1.0
  O  O16  1  0.000  0.574  0.285  1.0
  O  O17  1  0.712  0.426  0.426  1.0
  O  O18  1  0.288  0.715  0.715  1.0
  O  O19  1  0.715  0.288  0.715  1.0
  O  O20  1  0.285  0.000  0.574  1.0
  O  O21  1  0.000  0.285  0.574  1.0
  O  O22  1  0.426  0.426  0.712  1.0
[/CIF]
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