The compound described by MgSn8(P2O9)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(7) and two equivalent O(8) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(3), one O(8), and one O(9) atom. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(9) atom. In the third Sn site, Sn(3) is bonded in a distorted L-shaped geometry to one O(2) and one O(9) atom. In the fourth Sn site, Sn(4) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Sn(3), one Sn(4), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Sn(4) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sn(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Sn(1), one Sn(2), and one Sn(3) atom. is represented by the CIF card [CIF]
data_MgSn8(P2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.042
_cell_length_b   8.348
_cell_length_c   8.343
_cell_angle_alpha   54.170
_cell_angle_beta   74.639
_cell_angle_gamma   90.213
_symmetry_Int_Tables_number   1
_cell_volume   535.399
_cell_formula_units_Z   1
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  0.500  0.000  1.0
  Sn  Sn1  1  0.100  0.265  0.157  1.0
  Sn  Sn2  1  0.085  0.247  0.739  1.0
  Sn  Sn3  1  0.429  0.492  0.692  1.0
  Sn  Sn4  1  0.426  0.042  0.795  1.0
  Sn  Sn5  1  0.574  0.958  0.205  1.0
  Sn  Sn6  1  0.571  0.508  0.308  1.0
  Sn  Sn7  1  0.915  0.753  0.261  1.0
  Sn  Sn8  1  0.900  0.735  0.843  1.0
  P  P9  1  0.321  0.008  0.443  1.0
  P  P10  1  0.207  0.577  0.224  1.0
  P  P11  1  0.793  0.423  0.776  1.0
  P  P12  1  0.679  0.992  0.557  1.0
  O  O13  1  0.045  0.539  0.263  1.0
  O  O14  1  0.356  0.799  0.518  1.0
  O  O15  1  0.183  0.032  0.389  1.0
  O  O16  1  0.234  0.475  0.436  1.0
  O  O17  1  0.270  0.803  0.082  1.0
  O  O18  1  0.310  0.044  0.608  1.0
  O  O19  1  0.451  0.166  0.234  1.0
  O  O20  1  0.276  0.480  0.115  1.0
  O  O21  1  0.216  0.319  0.860  1.0
  O  O22  1  0.784  0.681  0.140  1.0
  O  O23  1  0.724  0.520  0.885  1.0
  O  O24  1  0.549  0.834  0.766  1.0
  O  O25  1  0.690  0.956  0.392  1.0
  O  O26  1  0.730  0.197  0.918  1.0
  O  O27  1  0.766  0.525  0.564  1.0
  O  O28  1  0.817  0.968  0.611  1.0
  O  O29  1  0.644  0.201  0.482  1.0
  O  O30  1  0.955  0.461  0.737  1.0
[/CIF]
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The compound described by MgSn8(P2O9)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(7) and two equivalent O(8) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(3), one O(8), and one O(9) atom. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(9) atom. In the third Sn site, Sn(3) is bonded in a distorted L-shaped geometry to one O(2) and one O(9) atom. In the fourth Sn site, Sn(4) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Sn(3), one Sn(4), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Sn(4) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sn(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Sn(1), one Sn(2), and one Sn(3) atom. is represented by the CIF card [CIF]
data_MgSn8(P2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.042
_cell_length_b   8.348
_cell_length_c   8.343
_cell_angle_alpha   54.170
_cell_angle_beta   74.639
_cell_angle_gamma   90.213
_symmetry_Int_Tables_number   1
_cell_volume   535.399
_cell_formula_units_Z   1
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  0.500  0.000  1.0
  Sn  Sn1  1  0.100  0.265  0.157  1.0
  Sn  Sn2  1  0.085  0.247  0.739  1.0
  Sn  Sn3  1  0.429  0.492  0.692  1.0
  Sn  Sn4  1  0.426  0.042  0.795  1.0
  Sn  Sn5  1  0.574  0.958  0.205  1.0
  Sn  Sn6  1  0.571  0.508  0.308  1.0
  Sn  Sn7  1  0.915  0.753  0.261  1.0
  Sn  Sn8  1  0.900  0.735  0.843  1.0
  P  P9  1  0.321  0.008  0.443  1.0
  P  P10  1  0.207  0.577  0.224  1.0
  P  P11  1  0.793  0.423  0.776  1.0
  P  P12  1  0.679  0.992  0.557  1.0
  O  O13  1  0.045  0.539  0.263  1.0
  O  O14  1  0.356  0.799  0.518  1.0
  O  O15  1  0.183  0.032  0.389  1.0
  O  O16  1  0.234  0.475  0.436  1.0
  O  O17  1  0.270  0.803  0.082  1.0
  O  O18  1  0.310  0.044  0.608  1.0
  O  O19  1  0.451  0.166  0.234  1.0
  O  O20  1  0.276  0.480  0.115  1.0
  O  O21  1  0.216  0.319  0.860  1.0
  O  O22  1  0.784  0.681  0.140  1.0
  O  O23  1  0.724  0.520  0.885  1.0
  O  O24  1  0.549  0.834  0.766  1.0
  O  O25  1  0.690  0.956  0.392  1.0
  O  O26  1  0.730  0.197  0.918  1.0
  O  O27  1  0.766  0.525  0.564  1.0
  O  O28  1  0.817  0.968  0.611  1.0
  O  O29  1  0.644  0.201  0.482  1.0
  O  O30  1  0.955  0.461  0.737  1.0
[/CIF]
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