The material described by SrMgSn(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Mg(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form MgO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Sn(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Mg(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(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 Sr(1), one Mg(1), one Sn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one Sn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Sn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrMgSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   7.154
_cell_length_c   10.056
_cell_angle_alpha   107.487
_cell_angle_beta   104.791
_cell_angle_gamma   96.834
_symmetry_Int_Tables_number   1
_cell_volume   363.782
_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
  Sr  Sr0  1  0.802  0.249  0.038  1.0
  Sr  Sr1  1  0.198  0.751  0.962  1.0
  Mg  Mg2  1  0.621  0.278  0.638  1.0
  Mg  Mg3  1  0.379  0.722  0.362  1.0
  Sn  Sn4  1  0.964  0.753  0.583  1.0
  Sn  Sn5  1  0.036  0.247  0.417  1.0
  P  P6  1  0.846  0.800  0.213  1.0
  P  P7  1  0.154  0.200  0.787  1.0
  P  P8  1  0.464  0.267  0.282  1.0
  P  P9  1  0.536  0.733  0.718  1.0
  O  O10  1  0.120  0.359  0.918  1.0
  O  O11  1  0.582  0.751  0.232  1.0
  O  O12  1  0.121  0.987  0.803  1.0
  O  O13  1  0.721  0.581  0.699  1.0
  O  O14  1  0.418  0.249  0.768  1.0
  O  O15  1  0.511  0.811  0.586  1.0
  O  O16  1  0.489  0.189  0.414  1.0
  O  O17  1  0.644  0.894  0.868  1.0
  O  O18  1  0.879  0.013  0.197  1.0
  O  O19  1  0.356  0.106  0.132  1.0
  O  O20  1  0.880  0.641  0.082  1.0
  O  O21  1  0.066  0.825  0.354  1.0
  O  O22  1  0.934  0.175  0.646  1.0
  O  O23  1  0.730  0.383  0.298  1.0
  O  O24  1  0.279  0.419  0.301  1.0
  O  O25  1  0.270  0.617  0.702  1.0
[/CIF]
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The material described by SrMgSn(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Mg(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form MgO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Sn(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Mg(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(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 Sr(1), one Mg(1), one Sn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one Sn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Sn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrMgSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   7.154
_cell_length_c   10.056
_cell_angle_alpha   107.487
_cell_angle_beta   104.791
_cell_angle_gamma   96.834
_symmetry_Int_Tables_number   1
_cell_volume   363.782
_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
  Sr  Sr0  1  0.802  0.249  0.038  1.0
  Sr  Sr1  1  0.198  0.751  0.962  1.0
  Mg  Mg2  1  0.621  0.278  0.638  1.0
  Mg  Mg3  1  0.379  0.722  0.362  1.0
  Sn  Sn4  1  0.964  0.753  0.583  1.0
  Sn  Sn5  1  0.036  0.247  0.417  1.0
  P  P6  1  0.846  0.800  0.213  1.0
  P  P7  1  0.154  0.200  0.787  1.0
  P  P8  1  0.464  0.267  0.282  1.0
  P  P9  1  0.536  0.733  0.718  1.0
  O  O10  1  0.120  0.359  0.918  1.0
  O  O11  1  0.582  0.751  0.232  1.0
  O  O12  1  0.121  0.987  0.803  1.0
  O  O13  1  0.721  0.581  0.699  1.0
  O  O14  1  0.418  0.249  0.768  1.0
  O  O15  1  0.511  0.811  0.586  1.0
  O  O16  1  0.489  0.189  0.414  1.0
  O  O17  1  0.644  0.894  0.868  1.0
  O  O18  1  0.879  0.013  0.197  1.0
  O  O19  1  0.356  0.106  0.132  1.0
  O  O20  1  0.880  0.641  0.082  1.0
  O  O21  1  0.066  0.825  0.354  1.0
  O  O22  1  0.934  0.175  0.646  1.0
  O  O23  1  0.730  0.383  0.298  1.0
  O  O24  1  0.279  0.419  0.301  1.0
  O  O25  1  0.270  0.617  0.702  1.0
[/CIF]
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