The structure described by MgSn2(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. Sn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sn(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 Sn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_MgSn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.187
_cell_length_b   9.177
_cell_length_c   6.907
_cell_angle_alpha   77.169
_cell_angle_beta   61.446
_cell_angle_gamma   41.385
_symmetry_Int_Tables_number   1
_cell_volume   364.482
_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  0.503  0.997  0.997  1.0
  Mg  Mg1  1  0.253  0.747  0.747  1.0
  Sn  Sn2  1  0.875  0.380  0.381  1.0
  Sn  Sn3  1  0.364  0.381  0.380  1.0
  Sn  Sn4  1  0.870  0.375  0.886  1.0
  Sn  Sn5  1  0.869  0.886  0.375  1.0
  P  P6  1  0.038  0.551  0.960  1.0
  P  P7  1  0.699  0.212  0.800  1.0
  P  P8  1  0.450  0.960  0.551  1.0
  P  P9  1  0.290  0.800  0.212  1.0
  O  O10  1  0.571  0.730  0.455  1.0
  O  O11  1  0.663  0.187  0.328  1.0
  O  O12  1  0.305  0.673  0.410  1.0
  O  O13  1  0.795  0.006  0.679  1.0
  O  O14  1  0.223  0.071  0.757  1.0
  O  O15  1  0.429  0.090  0.355  1.0
  O  O16  1  0.063  0.587  0.428  1.0
  O  O17  1  0.822  0.328  0.187  1.0
  O  O18  1  0.922  0.428  0.587  1.0
  O  O19  1  0.179  0.027  0.301  1.0
  O  O20  1  0.244  0.455  0.730  1.0
  O  O21  1  0.493  0.301  0.027  1.0
  O  O22  1  0.949  0.757  0.071  1.0
  O  O23  1  0.160  0.821  0.124  1.0
  O  O24  1  0.126  0.355  0.090  1.0
  O  O25  1  0.895  0.124  0.821  1.0
  O  O26  1  0.840  0.638  0.945  1.0
  O  O27  1  0.612  0.410  0.673  1.0
  O  O28  1  0.520  0.679  0.006  1.0
  O  O29  1  0.577  0.945  0.638  1.0
[/CIF]
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The structure described by MgSn2(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. Sn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sn(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 Sn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_MgSn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.187
_cell_length_b   9.177
_cell_length_c   6.907
_cell_angle_alpha   77.169
_cell_angle_beta   61.446
_cell_angle_gamma   41.385
_symmetry_Int_Tables_number   1
_cell_volume   364.482
_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  0.503  0.997  0.997  1.0
  Mg  Mg1  1  0.253  0.747  0.747  1.0
  Sn  Sn2  1  0.875  0.380  0.381  1.0
  Sn  Sn3  1  0.364  0.381  0.380  1.0
  Sn  Sn4  1  0.870  0.375  0.886  1.0
  Sn  Sn5  1  0.869  0.886  0.375  1.0
  P  P6  1  0.038  0.551  0.960  1.0
  P  P7  1  0.699  0.212  0.800  1.0
  P  P8  1  0.450  0.960  0.551  1.0
  P  P9  1  0.290  0.800  0.212  1.0
  O  O10  1  0.571  0.730  0.455  1.0
  O  O11  1  0.663  0.187  0.328  1.0
  O  O12  1  0.305  0.673  0.410  1.0
  O  O13  1  0.795  0.006  0.679  1.0
  O  O14  1  0.223  0.071  0.757  1.0
  O  O15  1  0.429  0.090  0.355  1.0
  O  O16  1  0.063  0.587  0.428  1.0
  O  O17  1  0.822  0.328  0.187  1.0
  O  O18  1  0.922  0.428  0.587  1.0
  O  O19  1  0.179  0.027  0.301  1.0
  O  O20  1  0.244  0.455  0.730  1.0
  O  O21  1  0.493  0.301  0.027  1.0
  O  O22  1  0.949  0.757  0.071  1.0
  O  O23  1  0.160  0.821  0.124  1.0
  O  O24  1  0.126  0.355  0.090  1.0
  O  O25  1  0.895  0.124  0.821  1.0
  O  O26  1  0.840  0.638  0.945  1.0
  O  O27  1  0.612  0.410  0.673  1.0
  O  O28  1  0.520  0.679  0.006  1.0
  O  O29  1  0.577  0.945  0.638  1.0
[/CIF]
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