The structure described by MgCeZr7O16 crystallizes in the tetragonal P-4m2 space group. Mg(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted MgO8 tetrahedra that share corners with eight equivalent Zr(2)O6 tetrahedra. Ce(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Zr site, Zr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZrO6 tetrahedra that share corners with four equivalent Mg(1)O8 tetrahedra. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ce(1), one Zr(2), and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ce(1), one Zr(2), and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded to one Zr(2), one Zr(3), and two equivalent Zr(1) atoms to form distorted corner-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zr(3) and two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_CeMgZr7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   7.487
_cell_length_c   7.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.500
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Zr  Zr2  1  0.500  0.269  0.269  1.0
  Zr  Zr3  1  0.012  0.000  0.500  1.0
  Zr  Zr4  1  0.500  0.269  0.731  1.0
  Zr  Zr5  1  0.988  0.500  0.000  1.0
  Zr  Zr6  1  0.500  0.731  0.269  1.0
  Zr  Zr7  1  0.000  0.500  0.500  1.0
  Zr  Zr8  1  0.500  0.731  0.731  1.0
  O  O9  1  0.202  0.281  0.000  1.0
  O  O10  1  0.334  0.000  0.228  1.0
  O  O11  1  0.798  0.000  0.281  1.0
  O  O12  1  0.666  0.228  0.000  1.0
  O  O13  1  0.221  0.231  0.500  1.0
  O  O14  1  0.334  0.000  0.772  1.0
  O  O15  1  0.798  0.000  0.719  1.0
  O  O16  1  0.714  0.292  0.500  1.0
  O  O17  1  0.202  0.719  0.000  1.0
  O  O18  1  0.286  0.500  0.292  1.0
  O  O19  1  0.779  0.500  0.231  1.0
  O  O20  1  0.666  0.772  0.000  1.0
  O  O21  1  0.221  0.769  0.500  1.0
  O  O22  1  0.286  0.500  0.708  1.0
  O  O23  1  0.779  0.500  0.769  1.0
  O  O24  1  0.714  0.708  0.500  1.0
[/CIF]
.
The structure described by MgCeZr7O16 crystallizes in the tetragonal P-4m2 space group. Mg(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted MgO8 tetrahedra that share corners with eight equivalent Zr(2)O6 tetrahedra. Ce(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Zr site, Zr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZrO6 tetrahedra that share corners with four equivalent Mg(1)O8 tetrahedra. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ce(1), one Zr(2), and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ce(1), one Zr(2), and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded to one Zr(2), one Zr(3), and two equivalent Zr(1) atoms to form distorted corner-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zr(3) and two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_CeMgZr7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   7.487
_cell_length_c   7.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.500
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Zr  Zr2  1  0.500  0.269  0.269  1.0
  Zr  Zr3  1  0.012  0.000  0.500  1.0
  Zr  Zr4  1  0.500  0.269  0.731  1.0
  Zr  Zr5  1  0.988  0.500  0.000  1.0
  Zr  Zr6  1  0.500  0.731  0.269  1.0
  Zr  Zr7  1  0.000  0.500  0.500  1.0
  Zr  Zr8  1  0.500  0.731  0.731  1.0
  O  O9  1  0.202  0.281  0.000  1.0
  O  O10  1  0.334  0.000  0.228  1.0
  O  O11  1  0.798  0.000  0.281  1.0
  O  O12  1  0.666  0.228  0.000  1.0
  O  O13  1  0.221  0.231  0.500  1.0
  O  O14  1  0.334  0.000  0.772  1.0
  O  O15  1  0.798  0.000  0.719  1.0
  O  O16  1  0.714  0.292  0.500  1.0
  O  O17  1  0.202  0.719  0.000  1.0
  O  O18  1  0.286  0.500  0.292  1.0
  O  O19  1  0.779  0.500  0.231  1.0
  O  O20  1  0.666  0.772  0.000  1.0
  O  O21  1  0.221  0.769  0.500  1.0
  O  O22  1  0.286  0.500  0.708  1.0
  O  O23  1  0.779  0.500  0.769  1.0
  O  O24  1  0.714  0.708  0.500  1.0
[/CIF]
.