The material structure described by Mg(PO5)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-28°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one P(1) and one O(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one O(4) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1), one O(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.481
_cell_length_b   5.431
_cell_length_c   8.365
_cell_angle_alpha   52.350
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.018
_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
  P  P2  1  0.830  0.692  0.638  1.0
  P  P3  1  0.170  0.308  0.362  1.0
  P  P4  1  0.330  0.308  0.862  1.0
  P  P5  1  0.670  0.692  0.138  1.0
  O  O6  1  0.373  0.022  0.860  1.0
  O  O7  1  0.627  0.978  0.140  1.0
  O  O8  1  0.873  0.978  0.640  1.0
  O  O9  1  0.127  0.022  0.360  1.0
  O  O10  1  0.411  0.248  0.064  1.0
  O  O11  1  0.589  0.752  0.936  1.0
  O  O12  1  0.911  0.752  0.436  1.0
  O  O13  1  0.089  0.248  0.564  1.0
  O  O14  1  0.384  0.616  0.689  1.0
  O  O15  1  0.616  0.384  0.311  1.0
  O  O16  1  0.884  0.384  0.811  1.0
  O  O17  1  0.116  0.616  0.189  1.0
  O  O18  1  0.031  0.954  0.707  1.0
  O  O19  1  0.969  0.046  0.293  1.0
  O  O20  1  0.531  0.046  0.793  1.0
  O  O21  1  0.469  0.954  0.207  1.0
  O  O22  1  0.676  0.740  0.593  1.0
  O  O23  1  0.324  0.260  0.407  1.0
  O  O24  1  0.176  0.260  0.907  1.0
  O  O25  1  0.824  0.740  0.093  1.0
[/CIF]
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The material structure described by Mg(PO5)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-28°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one P(1) and one O(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one O(4) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1), one O(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.481
_cell_length_b   5.431
_cell_length_c   8.365
_cell_angle_alpha   52.350
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.018
_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
  P  P2  1  0.830  0.692  0.638  1.0
  P  P3  1  0.170  0.308  0.362  1.0
  P  P4  1  0.330  0.308  0.862  1.0
  P  P5  1  0.670  0.692  0.138  1.0
  O  O6  1  0.373  0.022  0.860  1.0
  O  O7  1  0.627  0.978  0.140  1.0
  O  O8  1  0.873  0.978  0.640  1.0
  O  O9  1  0.127  0.022  0.360  1.0
  O  O10  1  0.411  0.248  0.064  1.0
  O  O11  1  0.589  0.752  0.936  1.0
  O  O12  1  0.911  0.752  0.436  1.0
  O  O13  1  0.089  0.248  0.564  1.0
  O  O14  1  0.384  0.616  0.689  1.0
  O  O15  1  0.616  0.384  0.311  1.0
  O  O16  1  0.884  0.384  0.811  1.0
  O  O17  1  0.116  0.616  0.189  1.0
  O  O18  1  0.031  0.954  0.707  1.0
  O  O19  1  0.969  0.046  0.293  1.0
  O  O20  1  0.531  0.046  0.793  1.0
  O  O21  1  0.469  0.954  0.207  1.0
  O  O22  1  0.676  0.740  0.593  1.0
  O  O23  1  0.324  0.260  0.407  1.0
  O  O24  1  0.176  0.260  0.907  1.0
  O  O25  1  0.824  0.740  0.093  1.0
[/CIF]
.