The material structure described by Mg2PO4Cl crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent Cl(1) atoms. In the second Mg site, Mg(2) is bonded to one O(1), one O(2), one O(3), two equivalent O(4), and one Cl(1) atom to form distorted MgClO5 octahedra that share corners with two equivalent Mg(2)ClO5 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. 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(2)ClO5 octahedra and  an edgeedge with one Mg(2)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. 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 Mg(2), 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 Mg(2), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mg(2), and one P(1) atom. Cl(1) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg2PClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.865
_cell_length_b   8.011
_cell_length_c   11.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.337
_cell_formula_units_Z   4
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  0.507  0.163  0.628  1.0
  Mg  Mg1  1  0.007  0.837  0.372  1.0
  Mg  Mg2  1  0.001  0.402  0.378  1.0
  Mg  Mg3  1  0.007  0.663  0.872  1.0
  Mg  Mg4  1  0.507  0.337  0.128  1.0
  Mg  Mg5  1  0.501  0.902  0.122  1.0
  Mg  Mg6  1  0.001  0.098  0.878  1.0
  Mg  Mg7  1  0.501  0.598  0.622  1.0
  P  P8  1  0.953  0.121  0.166  1.0
  P  P9  1  0.453  0.879  0.834  1.0
  P  P10  1  0.953  0.379  0.666  1.0
  P  P11  1  0.453  0.621  0.334  1.0
  Cl  Cl12  1  0.258  0.378  0.938  1.0
  Cl  Cl13  1  0.758  0.622  0.062  1.0
  Cl  Cl14  1  0.758  0.878  0.562  1.0
  Cl  Cl15  1  0.258  0.122  0.438  1.0
  O  O16  1  0.347  0.460  0.270  1.0
  O  O17  1  0.348  0.778  0.267  1.0
  O  O18  1  0.769  0.620  0.348  1.0
  O  O19  1  0.848  0.222  0.733  1.0
  O  O20  1  0.797  0.123  0.042  1.0
  O  O21  1  0.269  0.380  0.652  1.0
  O  O22  1  0.769  0.880  0.848  1.0
  O  O23  1  0.847  0.540  0.730  1.0
  O  O24  1  0.797  0.377  0.542  1.0
  O  O25  1  0.348  0.722  0.767  1.0
  O  O26  1  0.297  0.623  0.458  1.0
  O  O27  1  0.269  0.120  0.152  1.0
  O  O28  1  0.297  0.877  0.958  1.0
  O  O29  1  0.847  0.960  0.230  1.0
  O  O30  1  0.848  0.278  0.233  1.0
  O  O31  1  0.347  0.040  0.770  1.0
[/CIF]
.
The material structure described by Mg2PO4Cl crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent Cl(1) atoms. In the second Mg site, Mg(2) is bonded to one O(1), one O(2), one O(3), two equivalent O(4), and one Cl(1) atom to form distorted MgClO5 octahedra that share corners with two equivalent Mg(2)ClO5 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. 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(2)ClO5 octahedra and  an edgeedge with one Mg(2)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. 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 Mg(2), 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 Mg(2), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mg(2), and one P(1) atom. Cl(1) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg2PClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.865
_cell_length_b   8.011
_cell_length_c   11.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.337
_cell_formula_units_Z   4
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  0.507  0.163  0.628  1.0
  Mg  Mg1  1  0.007  0.837  0.372  1.0
  Mg  Mg2  1  0.001  0.402  0.378  1.0
  Mg  Mg3  1  0.007  0.663  0.872  1.0
  Mg  Mg4  1  0.507  0.337  0.128  1.0
  Mg  Mg5  1  0.501  0.902  0.122  1.0
  Mg  Mg6  1  0.001  0.098  0.878  1.0
  Mg  Mg7  1  0.501  0.598  0.622  1.0
  P  P8  1  0.953  0.121  0.166  1.0
  P  P9  1  0.453  0.879  0.834  1.0
  P  P10  1  0.953  0.379  0.666  1.0
  P  P11  1  0.453  0.621  0.334  1.0
  Cl  Cl12  1  0.258  0.378  0.938  1.0
  Cl  Cl13  1  0.758  0.622  0.062  1.0
  Cl  Cl14  1  0.758  0.878  0.562  1.0
  Cl  Cl15  1  0.258  0.122  0.438  1.0
  O  O16  1  0.347  0.460  0.270  1.0
  O  O17  1  0.348  0.778  0.267  1.0
  O  O18  1  0.769  0.620  0.348  1.0
  O  O19  1  0.848  0.222  0.733  1.0
  O  O20  1  0.797  0.123  0.042  1.0
  O  O21  1  0.269  0.380  0.652  1.0
  O  O22  1  0.769  0.880  0.848  1.0
  O  O23  1  0.847  0.540  0.730  1.0
  O  O24  1  0.797  0.377  0.542  1.0
  O  O25  1  0.348  0.722  0.767  1.0
  O  O26  1  0.297  0.623  0.458  1.0
  O  O27  1  0.269  0.120  0.152  1.0
  O  O28  1  0.297  0.877  0.958  1.0
  O  O29  1  0.847  0.960  0.230  1.0
  O  O30  1  0.848  0.278  0.233  1.0
  O  O31  1  0.347  0.040  0.770  1.0
[/CIF]
.