The material described by MgTiSn(PO4)3 crystallizes in the monoclinic Cc space group. Mg(1) is bonded to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. Ti(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. In the third P site, P(3) is bonded to one O(11), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the second O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(3) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(3) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the eighth O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the tenth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(1) atom. In the eleventh O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(2) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiSn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.639
_cell_length_b   8.650
_cell_length_c   8.649
_cell_angle_alpha   60.884
_cell_angle_beta   60.934
_cell_angle_gamma   60.885
_symmetry_Int_Tables_number   1
_cell_volume   466.270
_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  0.004  0.004  0.004  1.0
  Mg  Mg1  1  0.504  0.504  0.504  1.0
  Ti  Ti2  1  0.144  0.144  0.144  1.0
  Ti  Ti3  1  0.644  0.644  0.644  1.0
  Sn  Sn4  1  0.355  0.355  0.355  1.0
  Sn  Sn5  1  0.855  0.855  0.855  1.0
  P  P6  1  0.047  0.450  0.749  1.0
  P  P7  1  0.450  0.749  0.047  1.0
  P  P8  1  0.749  0.046  0.451  1.0
  P  P9  1  0.249  0.951  0.546  1.0
  P  P10  1  0.547  0.249  0.950  1.0
  P  P11  1  0.950  0.546  0.249  1.0
  O  O12  1  0.106  0.516  0.311  1.0
  O  O13  1  0.311  0.106  0.516  1.0
  O  O14  1  0.060  0.258  0.909  1.0
  O  O15  1  0.516  0.311  0.106  1.0
  O  O16  1  0.016  0.606  0.811  1.0
  O  O17  1  0.244  0.437  0.591  1.0
  O  O18  1  0.258  0.909  0.060  1.0
  O  O19  1  0.437  0.591  0.244  1.0
  O  O20  1  0.183  0.996  0.391  1.0
  O  O21  1  0.591  0.244  0.437  1.0
  O  O22  1  0.091  0.937  0.744  1.0
  O  O23  1  0.391  0.183  0.996  1.0
  O  O24  1  0.606  0.811  0.016  1.0
  O  O25  1  0.909  0.060  0.258  1.0
  O  O26  1  0.409  0.758  0.560  1.0
  O  O27  1  0.811  0.016  0.606  1.0
  O  O28  1  0.560  0.409  0.758  1.0
  O  O29  1  0.744  0.091  0.937  1.0
  O  O30  1  0.758  0.560  0.409  1.0
  O  O31  1  0.996  0.391  0.183  1.0
  O  O32  1  0.496  0.683  0.891  1.0
  O  O33  1  0.937  0.744  0.091  1.0
  O  O34  1  0.683  0.891  0.496  1.0
  O  O35  1  0.891  0.496  0.683  1.0
[/CIF]
.
The material described by MgTiSn(PO4)3 crystallizes in the monoclinic Cc space group. Mg(1) is bonded to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. Ti(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. In the third P site, P(3) is bonded to one O(11), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the second O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(3) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(3) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the eighth O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the tenth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(1) atom. In the eleventh O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(2) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiSn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.639
_cell_length_b   8.650
_cell_length_c   8.649
_cell_angle_alpha   60.884
_cell_angle_beta   60.934
_cell_angle_gamma   60.885
_symmetry_Int_Tables_number   1
_cell_volume   466.270
_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  0.004  0.004  0.004  1.0
  Mg  Mg1  1  0.504  0.504  0.504  1.0
  Ti  Ti2  1  0.144  0.144  0.144  1.0
  Ti  Ti3  1  0.644  0.644  0.644  1.0
  Sn  Sn4  1  0.355  0.355  0.355  1.0
  Sn  Sn5  1  0.855  0.855  0.855  1.0
  P  P6  1  0.047  0.450  0.749  1.0
  P  P7  1  0.450  0.749  0.047  1.0
  P  P8  1  0.749  0.046  0.451  1.0
  P  P9  1  0.249  0.951  0.546  1.0
  P  P10  1  0.547  0.249  0.950  1.0
  P  P11  1  0.950  0.546  0.249  1.0
  O  O12  1  0.106  0.516  0.311  1.0
  O  O13  1  0.311  0.106  0.516  1.0
  O  O14  1  0.060  0.258  0.909  1.0
  O  O15  1  0.516  0.311  0.106  1.0
  O  O16  1  0.016  0.606  0.811  1.0
  O  O17  1  0.244  0.437  0.591  1.0
  O  O18  1  0.258  0.909  0.060  1.0
  O  O19  1  0.437  0.591  0.244  1.0
  O  O20  1  0.183  0.996  0.391  1.0
  O  O21  1  0.591  0.244  0.437  1.0
  O  O22  1  0.091  0.937  0.744  1.0
  O  O23  1  0.391  0.183  0.996  1.0
  O  O24  1  0.606  0.811  0.016  1.0
  O  O25  1  0.909  0.060  0.258  1.0
  O  O26  1  0.409  0.758  0.560  1.0
  O  O27  1  0.811  0.016  0.606  1.0
  O  O28  1  0.560  0.409  0.758  1.0
  O  O29  1  0.744  0.091  0.937  1.0
  O  O30  1  0.758  0.560  0.409  1.0
  O  O31  1  0.996  0.391  0.183  1.0
  O  O32  1  0.496  0.683  0.891  1.0
  O  O33  1  0.937  0.744  0.091  1.0
  O  O34  1  0.683  0.891  0.496  1.0
  O  O35  1  0.891  0.496  0.683  1.0
[/CIF]
.