The material structure described by MgZn2(PO4)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. Zn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 61°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Zn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgZn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   5.134
_cell_length_c   8.839
_cell_angle_alpha   59.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.199
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.362  0.964  0.120  1.0
  Zn  Zn3  1  0.638  0.036  0.880  1.0
  Zn  Zn4  1  0.862  0.036  0.380  1.0
  Zn  Zn5  1  0.138  0.964  0.620  1.0
  P  P6  1  0.692  0.663  0.301  1.0
  P  P7  1  0.308  0.337  0.699  1.0
  P  P8  1  0.192  0.337  0.199  1.0
  P  P9  1  0.808  0.663  0.801  1.0
  O  O10  1  0.700  0.318  0.380  1.0
  O  O11  1  0.300  0.682  0.620  1.0
  O  O12  1  0.200  0.682  0.120  1.0
  O  O13  1  0.800  0.318  0.880  1.0
  O  O14  1  0.859  0.818  0.243  1.0
  O  O15  1  0.141  0.182  0.757  1.0
  O  O16  1  0.359  0.182  0.257  1.0
  O  O17  1  0.641  0.818  0.743  1.0
  O  O18  1  0.579  0.793  0.138  1.0
  O  O19  1  0.421  0.207  0.862  1.0
  O  O20  1  0.079  0.207  0.362  1.0
  O  O21  1  0.921  0.793  0.638  1.0
  O  O22  1  0.628  0.742  0.436  1.0
  O  O23  1  0.372  0.258  0.564  1.0
  O  O24  1  0.128  0.258  0.064  1.0
  O  O25  1  0.872  0.742  0.936  1.0
[/CIF]
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The material structure described by MgZn2(PO4)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. Zn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 61°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Zn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgZn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   5.134
_cell_length_c   8.839
_cell_angle_alpha   59.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.199
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.362  0.964  0.120  1.0
  Zn  Zn3  1  0.638  0.036  0.880  1.0
  Zn  Zn4  1  0.862  0.036  0.380  1.0
  Zn  Zn5  1  0.138  0.964  0.620  1.0
  P  P6  1  0.692  0.663  0.301  1.0
  P  P7  1  0.308  0.337  0.699  1.0
  P  P8  1  0.192  0.337  0.199  1.0
  P  P9  1  0.808  0.663  0.801  1.0
  O  O10  1  0.700  0.318  0.380  1.0
  O  O11  1  0.300  0.682  0.620  1.0
  O  O12  1  0.200  0.682  0.120  1.0
  O  O13  1  0.800  0.318  0.880  1.0
  O  O14  1  0.859  0.818  0.243  1.0
  O  O15  1  0.141  0.182  0.757  1.0
  O  O16  1  0.359  0.182  0.257  1.0
  O  O17  1  0.641  0.818  0.743  1.0
  O  O18  1  0.579  0.793  0.138  1.0
  O  O19  1  0.421  0.207  0.862  1.0
  O  O20  1  0.079  0.207  0.362  1.0
  O  O21  1  0.921  0.793  0.638  1.0
  O  O22  1  0.628  0.742  0.436  1.0
  O  O23  1  0.372  0.258  0.564  1.0
  O  O24  1  0.128  0.258  0.064  1.0
  O  O25  1  0.872  0.742  0.936  1.0
[/CIF]
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