The material described by SrMgTi(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 in a 4-coordinate geometry to one O(2), one O(4), one O(7), and two equivalent O(5) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate 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 Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), one Ti(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ti(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrMgTi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   6.765
_cell_length_c   9.467
_cell_angle_alpha   107.409
_cell_angle_beta   105.010
_cell_angle_gamma   97.359
_symmetry_Int_Tables_number   1
_cell_volume   322.705
_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  0.787  0.260  0.051  1.0
  Sr  Sr1  1  0.213  0.740  0.949  1.0
  Mg  Mg2  1  0.657  0.251  0.647  1.0
  Mg  Mg3  1  0.343  0.749  0.353  1.0
  Ti  Ti4  1  0.942  0.665  0.549  1.0
  Ti  Ti5  1  0.058  0.335  0.451  1.0
  P  P6  1  0.843  0.822  0.236  1.0
  P  P7  1  0.157  0.178  0.764  1.0
  P  P8  1  0.442  0.270  0.297  1.0
  P  P9  1  0.558  0.730  0.703  1.0
  O  O10  1  0.067  0.325  0.890  1.0
  O  O11  1  0.557  0.742  0.211  1.0
  O  O12  1  0.107  0.946  0.758  1.0
  O  O13  1  0.743  0.572  0.692  1.0
  O  O14  1  0.443  0.258  0.789  1.0
  O  O15  1  0.572  0.833  0.577  1.0
  O  O16  1  0.428  0.167  0.423  1.0
  O  O17  1  0.625  0.882  0.869  1.0
  O  O18  1  0.893  0.054  0.242  1.0
  O  O19  1  0.375  0.118  0.131  1.0
  O  O20  1  0.933  0.675  0.110  1.0
  O  O21  1  0.014  0.810  0.393  1.0
  O  O22  1  0.986  0.190  0.607  1.0
  O  O23  1  0.717  0.411  0.346  1.0
  O  O24  1  0.257  0.428  0.308  1.0
  O  O25  1  0.283  0.589  0.654  1.0
[/CIF]
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The material described by SrMgTi(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 in a 4-coordinate geometry to one O(2), one O(4), one O(7), and two equivalent O(5) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate 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 Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), one Ti(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ti(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrMgTi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   6.765
_cell_length_c   9.467
_cell_angle_alpha   107.409
_cell_angle_beta   105.010
_cell_angle_gamma   97.359
_symmetry_Int_Tables_number   1
_cell_volume   322.705
_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  0.787  0.260  0.051  1.0
  Sr  Sr1  1  0.213  0.740  0.949  1.0
  Mg  Mg2  1  0.657  0.251  0.647  1.0
  Mg  Mg3  1  0.343  0.749  0.353  1.0
  Ti  Ti4  1  0.942  0.665  0.549  1.0
  Ti  Ti5  1  0.058  0.335  0.451  1.0
  P  P6  1  0.843  0.822  0.236  1.0
  P  P7  1  0.157  0.178  0.764  1.0
  P  P8  1  0.442  0.270  0.297  1.0
  P  P9  1  0.558  0.730  0.703  1.0
  O  O10  1  0.067  0.325  0.890  1.0
  O  O11  1  0.557  0.742  0.211  1.0
  O  O12  1  0.107  0.946  0.758  1.0
  O  O13  1  0.743  0.572  0.692  1.0
  O  O14  1  0.443  0.258  0.789  1.0
  O  O15  1  0.572  0.833  0.577  1.0
  O  O16  1  0.428  0.167  0.423  1.0
  O  O17  1  0.625  0.882  0.869  1.0
  O  O18  1  0.893  0.054  0.242  1.0
  O  O19  1  0.375  0.118  0.131  1.0
  O  O20  1  0.933  0.675  0.110  1.0
  O  O21  1  0.014  0.810  0.393  1.0
  O  O22  1  0.986  0.190  0.607  1.0
  O  O23  1  0.717  0.411  0.346  1.0
  O  O24  1  0.257  0.428  0.308  1.0
  O  O25  1  0.283  0.589  0.654  1.0
[/CIF]
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