The material described by Zn3GaB6PO12 crystallizes in the trigonal R3m space group. Zn(1) is bonded to one P(1), one O(3), and two equivalent O(1) atoms to form distorted ZnPO3 tetrahedra that share  a cornercorner with one Ga(1)PO3 tetrahedra, corners with two equivalent Zn(1)PO3 tetrahedra, and corners with six equivalent B(1)O4 tetrahedra. Ga(1) is bonded to one P(1) and three equivalent O(2) atoms to form distorted GaPO3 tetrahedra that share corners with three equivalent Zn(1)PO3 tetrahedra and corners with six equivalent B(1)O4 tetrahedra. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form BO4 tetrahedra that share  a cornercorner with one Ga(1)PO3 tetrahedra, corners with three equivalent Zn(1)PO3 tetrahedra, and corners with four equivalent B(1)O4 tetrahedra. P(1) is bonded in a tetrahedral geometry to three equivalent Zn(1) and one Ga(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ga(1) and two equivalent B(1) atoms. In the third O site, O(3) 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_Zn3GaB6PO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.679
_cell_length_b   6.679
_cell_length_c   6.679
_cell_angle_alpha   109.560
_cell_angle_beta   109.560
_cell_angle_gamma   109.560
_symmetry_Int_Tables_number   1
_cell_volume   228.625
_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  1.000  1.000  0.334  1.0
  Zn  Zn1  1  0.334  1.000  1.000  1.0
  Zn  Zn2  1  1.000  0.334  1.000  1.0
  Ga  Ga3  1  0.653  0.653  0.653  1.0
  B  B4  1  0.249  0.751  0.503  1.0
  B  B5  1  0.249  0.503  0.751  1.0
  B  B6  1  0.503  0.751  0.249  1.0
  B  B7  1  0.503  0.249  0.751  1.0
  B  B8  1  0.751  0.503  0.249  1.0
  B  B9  1  0.751  0.249  0.503  1.0
  P  P10  1  0.992  0.992  0.992  1.0
  O  O11  1  0.000  0.570  0.287  1.0
  O  O12  1  0.431  0.707  0.431  1.0
  O  O13  1  0.294  0.720  0.720  1.0
  O  O14  1  0.287  0.000  0.570  1.0
  O  O15  1  0.287  0.570  0.000  1.0
  O  O16  1  0.431  0.431  0.707  1.0
  O  O17  1  0.720  0.294  0.720  1.0
  O  O18  1  0.570  0.000  0.287  1.0
  O  O19  1  0.570  0.287  0.000  1.0
  O  O20  1  0.707  0.431  0.431  1.0
  O  O21  1  0.720  0.720  0.294  1.0
  O  O22  1  0.000  0.287  0.570  1.0
[/CIF]
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The material described by Zn3GaB6PO12 crystallizes in the trigonal R3m space group. Zn(1) is bonded to one P(1), one O(3), and two equivalent O(1) atoms to form distorted ZnPO3 tetrahedra that share  a cornercorner with one Ga(1)PO3 tetrahedra, corners with two equivalent Zn(1)PO3 tetrahedra, and corners with six equivalent B(1)O4 tetrahedra. Ga(1) is bonded to one P(1) and three equivalent O(2) atoms to form distorted GaPO3 tetrahedra that share corners with three equivalent Zn(1)PO3 tetrahedra and corners with six equivalent B(1)O4 tetrahedra. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form BO4 tetrahedra that share  a cornercorner with one Ga(1)PO3 tetrahedra, corners with three equivalent Zn(1)PO3 tetrahedra, and corners with four equivalent B(1)O4 tetrahedra. P(1) is bonded in a tetrahedral geometry to three equivalent Zn(1) and one Ga(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ga(1) and two equivalent B(1) atoms. In the third O site, O(3) 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_Zn3GaB6PO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.679
_cell_length_b   6.679
_cell_length_c   6.679
_cell_angle_alpha   109.560
_cell_angle_beta   109.560
_cell_angle_gamma   109.560
_symmetry_Int_Tables_number   1
_cell_volume   228.625
_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  1.000  1.000  0.334  1.0
  Zn  Zn1  1  0.334  1.000  1.000  1.0
  Zn  Zn2  1  1.000  0.334  1.000  1.0
  Ga  Ga3  1  0.653  0.653  0.653  1.0
  B  B4  1  0.249  0.751  0.503  1.0
  B  B5  1  0.249  0.503  0.751  1.0
  B  B6  1  0.503  0.751  0.249  1.0
  B  B7  1  0.503  0.249  0.751  1.0
  B  B8  1  0.751  0.503  0.249  1.0
  B  B9  1  0.751  0.249  0.503  1.0
  P  P10  1  0.992  0.992  0.992  1.0
  O  O11  1  0.000  0.570  0.287  1.0
  O  O12  1  0.431  0.707  0.431  1.0
  O  O13  1  0.294  0.720  0.720  1.0
  O  O14  1  0.287  0.000  0.570  1.0
  O  O15  1  0.287  0.570  0.000  1.0
  O  O16  1  0.431  0.431  0.707  1.0
  O  O17  1  0.720  0.294  0.720  1.0
  O  O18  1  0.570  0.000  0.287  1.0
  O  O19  1  0.570  0.287  0.000  1.0
  O  O20  1  0.707  0.431  0.431  1.0
  O  O21  1  0.720  0.720  0.294  1.0
  O  O22  1  0.000  0.287  0.570  1.0
[/CIF]
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