The material structure described by MgP4 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent P(2) and four equivalent P(1) atoms to form MgP6 octahedra that share corners with four equivalent Mg(1)P6 octahedra, corners with four equivalent P(1)Mg2P2 tetrahedra, and corners with ten equivalent P(2)MgP3 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Mg(1) and two equivalent P(2) atoms to form PMg2P2 tetrahedra that share corners with two equivalent Mg(1)P6 octahedra, corners with six equivalent P(2)MgP3 tetrahedra, and corners with eight equivalent P(1)Mg2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 69-71°. In the second P site, P(2) is bonded to one Mg(1), one P(2), and two equivalent P(1) atoms to form PMgP3 tetrahedra that share corners with five equivalent Mg(1)P6 octahedra, corners with three equivalent P(2)MgP3 tetrahedra, and corners with six equivalent P(1)Mg2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 56-78°. is represented by the CIF card [CIF]
data_MgP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.170
_cell_length_c   7.546
_cell_angle_alpha   98.733
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.771
_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  0.294  0.745  0.746  1.0
  P  P3  1  0.794  0.255  0.754  1.0
  P  P4  1  0.706  0.255  0.254  1.0
  P  P5  1  0.206  0.745  0.246  1.0
  P  P6  1  0.892  0.602  0.400  1.0
  P  P7  1  0.392  0.398  0.100  1.0
  P  P8  1  0.108  0.398  0.600  1.0
  P  P9  1  0.608  0.602  0.900  1.0
[/CIF]
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The material structure described by MgP4 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent P(2) and four equivalent P(1) atoms to form MgP6 octahedra that share corners with four equivalent Mg(1)P6 octahedra, corners with four equivalent P(1)Mg2P2 tetrahedra, and corners with ten equivalent P(2)MgP3 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Mg(1) and two equivalent P(2) atoms to form PMg2P2 tetrahedra that share corners with two equivalent Mg(1)P6 octahedra, corners with six equivalent P(2)MgP3 tetrahedra, and corners with eight equivalent P(1)Mg2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 69-71°. In the second P site, P(2) is bonded to one Mg(1), one P(2), and two equivalent P(1) atoms to form PMgP3 tetrahedra that share corners with five equivalent Mg(1)P6 octahedra, corners with three equivalent P(2)MgP3 tetrahedra, and corners with six equivalent P(1)Mg2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 56-78°. is represented by the CIF card [CIF]
data_MgP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.170
_cell_length_c   7.546
_cell_angle_alpha   98.733
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.771
_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  0.294  0.745  0.746  1.0
  P  P3  1  0.794  0.255  0.754  1.0
  P  P4  1  0.706  0.255  0.254  1.0
  P  P5  1  0.206  0.745  0.246  1.0
  P  P6  1  0.892  0.602  0.400  1.0
  P  P7  1  0.392  0.398  0.100  1.0
  P  P8  1  0.108  0.398  0.600  1.0
  P  P9  1  0.608  0.602  0.900  1.0
[/CIF]
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