The material described by MgPNO5 crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded to one O(1), one O(4), and four equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Mg(1)O6 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 53°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. N(1) is bonded in a water-like geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one N(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one N(1) atom. is represented by the CIF card [CIF]
data_MgPNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.851
_cell_length_c   7.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.160
_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  0.604  0.000  0.983  1.0
  Mg  Mg1  1  0.104  0.500  0.017  1.0
  P  P2  1  0.563  0.500  0.793  1.0
  P  P3  1  0.063  0.000  0.207  1.0
  N  N4  1  0.792  0.000  0.542  1.0
  N  N5  1  0.292  0.500  0.458  1.0
  O  O6  1  0.857  0.500  0.801  1.0
  O  O7  1  0.357  0.000  0.199  1.0
  O  O8  1  0.535  0.500  0.555  1.0
  O  O9  1  0.035  0.000  0.445  1.0
  O  O10  1  0.421  0.710  0.876  1.0
  O  O11  1  0.421  0.290  0.876  1.0
  O  O12  1  0.921  0.790  0.124  1.0
  O  O13  1  0.921  0.210  0.124  1.0
  O  O14  1  0.838  0.000  0.710  1.0
  O  O15  1  0.338  0.500  0.290  1.0
[/CIF]
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The material described by MgPNO5 crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded to one O(1), one O(4), and four equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Mg(1)O6 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 53°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. N(1) is bonded in a water-like geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one N(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one N(1) atom. is represented by the CIF card [CIF]
data_MgPNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.851
_cell_length_c   7.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.160
_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  0.604  0.000  0.983  1.0
  Mg  Mg1  1  0.104  0.500  0.017  1.0
  P  P2  1  0.563  0.500  0.793  1.0
  P  P3  1  0.063  0.000  0.207  1.0
  N  N4  1  0.792  0.000  0.542  1.0
  N  N5  1  0.292  0.500  0.458  1.0
  O  O6  1  0.857  0.500  0.801  1.0
  O  O7  1  0.357  0.000  0.199  1.0
  O  O8  1  0.535  0.500  0.555  1.0
  O  O9  1  0.035  0.000  0.445  1.0
  O  O10  1  0.421  0.710  0.876  1.0
  O  O11  1  0.421  0.290  0.876  1.0
  O  O12  1  0.921  0.790  0.124  1.0
  O  O13  1  0.921  0.210  0.124  1.0
  O  O14  1  0.838  0.000  0.710  1.0
  O  O15  1  0.338  0.500  0.290  1.0
[/CIF]
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