The structure described by MgP2(WO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one P(1) atom. is represented by the CIF card [CIF]
data_MgP2(WO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.941
_cell_length_b   8.704
_cell_length_c   7.198
_cell_angle_alpha   76.743
_cell_angle_beta   58.449
_cell_angle_gamma   44.808
_symmetry_Int_Tables_number   1
_cell_volume   363.417
_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  0.500  1.000  1.000  1.0
  Mg  Mg1  1  0.250  0.750  0.750  1.0
  P  P2  1  0.044  0.556  0.955  1.0
  P  P3  1  0.694  0.206  0.805  1.0
  P  P4  1  0.445  0.955  0.556  1.0
  P  P5  1  0.295  0.805  0.206  1.0
  W  W6  1  0.872  0.380  0.380  1.0
  W  W7  1  0.368  0.380  0.380  1.0
  W  W8  1  0.870  0.378  0.882  1.0
  W  W9  1  0.870  0.882  0.378  1.0
  O  O10  1  0.559  0.720  0.474  1.0
  O  O11  1  0.662  0.176  0.335  1.0
  O  O12  1  0.307  0.676  0.399  1.0
  O  O13  1  0.776  0.003  0.691  1.0
  O  O14  1  0.211  0.064  0.758  1.0
  O  O15  1  0.430  0.086  0.366  1.0
  O  O16  1  0.074  0.588  0.423  1.0
  O  O17  1  0.827  0.335  0.176  1.0
  O  O18  1  0.915  0.423  0.588  1.0
  O  O19  1  0.186  0.039  0.283  1.0
  O  O20  1  0.247  0.474  0.720  1.0
  O  O21  1  0.492  0.283  0.039  1.0
  O  O22  1  0.967  0.758  0.064  1.0
  O  O23  1  0.164  0.820  0.132  1.0
  O  O24  1  0.118  0.366  0.086  1.0
  O  O25  1  0.884  0.132  0.820  1.0
  O  O26  1  0.851  0.632  0.943  1.0
  O  O27  1  0.618  0.399  0.676  1.0
  O  O28  1  0.530  0.691  0.003  1.0
  O  O29  1  0.574  0.943  0.632  1.0
[/CIF]
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The structure described by MgP2(WO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one P(1) atom. is represented by the CIF card [CIF]
data_MgP2(WO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.941
_cell_length_b   8.704
_cell_length_c   7.198
_cell_angle_alpha   76.743
_cell_angle_beta   58.449
_cell_angle_gamma   44.808
_symmetry_Int_Tables_number   1
_cell_volume   363.417
_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  0.500  1.000  1.000  1.0
  Mg  Mg1  1  0.250  0.750  0.750  1.0
  P  P2  1  0.044  0.556  0.955  1.0
  P  P3  1  0.694  0.206  0.805  1.0
  P  P4  1  0.445  0.955  0.556  1.0
  P  P5  1  0.295  0.805  0.206  1.0
  W  W6  1  0.872  0.380  0.380  1.0
  W  W7  1  0.368  0.380  0.380  1.0
  W  W8  1  0.870  0.378  0.882  1.0
  W  W9  1  0.870  0.882  0.378  1.0
  O  O10  1  0.559  0.720  0.474  1.0
  O  O11  1  0.662  0.176  0.335  1.0
  O  O12  1  0.307  0.676  0.399  1.0
  O  O13  1  0.776  0.003  0.691  1.0
  O  O14  1  0.211  0.064  0.758  1.0
  O  O15  1  0.430  0.086  0.366  1.0
  O  O16  1  0.074  0.588  0.423  1.0
  O  O17  1  0.827  0.335  0.176  1.0
  O  O18  1  0.915  0.423  0.588  1.0
  O  O19  1  0.186  0.039  0.283  1.0
  O  O20  1  0.247  0.474  0.720  1.0
  O  O21  1  0.492  0.283  0.039  1.0
  O  O22  1  0.967  0.758  0.064  1.0
  O  O23  1  0.164  0.820  0.132  1.0
  O  O24  1  0.118  0.366  0.086  1.0
  O  O25  1  0.884  0.132  0.820  1.0
  O  O26  1  0.851  0.632  0.943  1.0
  O  O27  1  0.618  0.399  0.676  1.0
  O  O28  1  0.530  0.691  0.003  1.0
  O  O29  1  0.574  0.943  0.632  1.0
[/CIF]
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