The material described by MgSn8(P2O9)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in an L-shaped geometry to one O(3) and one O(8) atom. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one O(1) and one O(9) atom. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(9) atom. In the fourth Sn site, Sn(4) is bonded in a distorted T-shaped geometry to 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 3-coordinate geometry to one Mg(1), one Sn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(3), 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 150 degrees geometry to one Sn(3) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sn(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sn(4) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Sn(2), and one Sn(3) atom. is represented by the CIF file [CIF]
data_MgSn8(P2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.437
_cell_length_b   8.018
_cell_length_c   7.370
_cell_angle_alpha   70.126
_cell_angle_beta   63.374
_cell_angle_gamma   91.453
_symmetry_Int_Tables_number   1
_cell_volume   555.337
_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  0.000  0.500  0.000  1.0
  Sn  Sn1  1  0.113  0.192  0.319  1.0
  Sn  Sn2  1  0.031  0.178  0.794  1.0
  Sn  Sn3  1  0.306  0.523  0.599  1.0
  Sn  Sn4  1  0.376  0.047  0.856  1.0
  Sn  Sn5  1  0.624  0.953  0.144  1.0
  Sn  Sn6  1  0.694  0.477  0.401  1.0
  Sn  Sn7  1  0.969  0.822  0.206  1.0
  Sn  Sn8  1  0.887  0.808  0.681  1.0
  P  P9  1  0.285  0.924  0.534  1.0
  P  P10  1  0.240  0.598  0.154  1.0
  P  P11  1  0.760  0.402  0.846  1.0
  P  P12  1  0.715  0.076  0.466  1.0
  O  O13  1  0.104  0.617  0.149  1.0
  O  O14  1  0.193  0.730  0.688  1.0
  O  O15  1  0.247  0.021  0.353  1.0
  O  O16  1  0.217  0.579  0.383  1.0
  O  O17  1  0.355  0.761  0.967  1.0
  O  O18  1  0.269  0.041  0.672  1.0
  O  O19  1  0.430  0.895  0.425  1.0
  O  O20  1  0.276  0.423  0.114  1.0
  O  O21  1  0.124  0.348  0.873  1.0
  O  O22  1  0.876  0.652  0.127  1.0
  O  O23  1  0.724  0.577  0.886  1.0
  O  O24  1  0.570  0.105  0.575  1.0
  O  O25  1  0.731  0.959  0.328  1.0
  O  O26  1  0.645  0.239  0.033  1.0
  O  O27  1  0.783  0.421  0.617  1.0
  O  O28  1  0.753  0.979  0.647  1.0
  O  O29  1  0.807  0.270  0.312  1.0
  O  O30  1  0.896  0.383  0.851  1.0
[/CIF]
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The material described by MgSn8(P2O9)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in an L-shaped geometry to one O(3) and one O(8) atom. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one O(1) and one O(9) atom. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(9) atom. In the fourth Sn site, Sn(4) is bonded in a distorted T-shaped geometry to 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 3-coordinate geometry to one Mg(1), one Sn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(3), 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 150 degrees geometry to one Sn(3) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sn(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sn(4) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Sn(2), and one Sn(3) atom. is represented by the CIF file [CIF]
data_MgSn8(P2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.437
_cell_length_b   8.018
_cell_length_c   7.370
_cell_angle_alpha   70.126
_cell_angle_beta   63.374
_cell_angle_gamma   91.453
_symmetry_Int_Tables_number   1
_cell_volume   555.337
_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  0.000  0.500  0.000  1.0
  Sn  Sn1  1  0.113  0.192  0.319  1.0
  Sn  Sn2  1  0.031  0.178  0.794  1.0
  Sn  Sn3  1  0.306  0.523  0.599  1.0
  Sn  Sn4  1  0.376  0.047  0.856  1.0
  Sn  Sn5  1  0.624  0.953  0.144  1.0
  Sn  Sn6  1  0.694  0.477  0.401  1.0
  Sn  Sn7  1  0.969  0.822  0.206  1.0
  Sn  Sn8  1  0.887  0.808  0.681  1.0
  P  P9  1  0.285  0.924  0.534  1.0
  P  P10  1  0.240  0.598  0.154  1.0
  P  P11  1  0.760  0.402  0.846  1.0
  P  P12  1  0.715  0.076  0.466  1.0
  O  O13  1  0.104  0.617  0.149  1.0
  O  O14  1  0.193  0.730  0.688  1.0
  O  O15  1  0.247  0.021  0.353  1.0
  O  O16  1  0.217  0.579  0.383  1.0
  O  O17  1  0.355  0.761  0.967  1.0
  O  O18  1  0.269  0.041  0.672  1.0
  O  O19  1  0.430  0.895  0.425  1.0
  O  O20  1  0.276  0.423  0.114  1.0
  O  O21  1  0.124  0.348  0.873  1.0
  O  O22  1  0.876  0.652  0.127  1.0
  O  O23  1  0.724  0.577  0.886  1.0
  O  O24  1  0.570  0.105  0.575  1.0
  O  O25  1  0.731  0.959  0.328  1.0
  O  O26  1  0.645  0.239  0.033  1.0
  O  O27  1  0.783  0.421  0.617  1.0
  O  O28  1  0.753  0.979  0.647  1.0
  O  O29  1  0.807  0.270  0.312  1.0
  O  O30  1  0.896  0.383  0.851  1.0
[/CIF]
.