The crystal structure described by MgTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(5), and one O(9) atom to form distorted TiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and corners with two equivalent Ti(2)O4 trigonal pyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(8), and one O(9) atom to form distorted TiO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and corners with two equivalent Ti(1)O4 trigonal pyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(7) atom to form ZnO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Ti(1)O4 trigonal pyramid, and corners with two equivalent Ti(2)O4 trigonal pyramids. In the second Zn site, Zn(2) is bonded in a distorted L-shaped geometry to one O(5) 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(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O5 trigonal bipyramids,  a cornercorner with one Ti(1)O4 trigonal pyramid, and corners with two equivalent Ti(2)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O5 trigonal bipyramids and  a cornercorner with one Ti(1)O4 trigonal pyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_MgTi2Zn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.437
_cell_length_b   6.563
_cell_length_c   8.948
_cell_angle_alpha   86.776
_cell_angle_beta   37.554
_cell_angle_gamma   99.280
_symmetry_Int_Tables_number   1
_cell_volume   216.478
_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  0.055  0.673  0.626  1.0
  Ti  Ti1  1  0.577  0.476  0.511  1.0
  Ti  Ti2  1  0.672  0.027  0.476  1.0
  Zn  Zn3  1  0.411  0.225  0.274  1.0
  Zn  Zn4  1  0.148  0.809  0.971  1.0
  P  P5  1  0.604  0.262  0.824  1.0
  P  P6  1  0.410  0.726  0.160  1.0
  O  O7  1  0.820  0.151  0.604  1.0
  O  O8  1  0.602  0.469  0.731  1.0
  O  O9  1  0.296  0.892  0.316  1.0
  O  O10  1  0.398  0.542  0.288  1.0
  O  O11  1  0.114  0.626  0.209  1.0
  O  O12  1  0.771  0.829  0.874  1.0
  O  O13  1  0.809  0.345  0.855  1.0
  O  O14  1  0.217  0.112  0.091  1.0
  O  O15  1  0.497  0.741  0.505  1.0
  O  O16  1  0.554  0.229  0.412  1.0
[/CIF]
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The crystal structure described by MgTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(5), and one O(9) atom to form distorted TiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and corners with two equivalent Ti(2)O4 trigonal pyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(8), and one O(9) atom to form distorted TiO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and corners with two equivalent Ti(1)O4 trigonal pyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(7) atom to form ZnO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Ti(1)O4 trigonal pyramid, and corners with two equivalent Ti(2)O4 trigonal pyramids. In the second Zn site, Zn(2) is bonded in a distorted L-shaped geometry to one O(5) 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(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O5 trigonal bipyramids,  a cornercorner with one Ti(1)O4 trigonal pyramid, and corners with two equivalent Ti(2)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O5 trigonal bipyramids and  a cornercorner with one Ti(1)O4 trigonal pyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_MgTi2Zn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.437
_cell_length_b   6.563
_cell_length_c   8.948
_cell_angle_alpha   86.776
_cell_angle_beta   37.554
_cell_angle_gamma   99.280
_symmetry_Int_Tables_number   1
_cell_volume   216.478
_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  0.055  0.673  0.626  1.0
  Ti  Ti1  1  0.577  0.476  0.511  1.0
  Ti  Ti2  1  0.672  0.027  0.476  1.0
  Zn  Zn3  1  0.411  0.225  0.274  1.0
  Zn  Zn4  1  0.148  0.809  0.971  1.0
  P  P5  1  0.604  0.262  0.824  1.0
  P  P6  1  0.410  0.726  0.160  1.0
  O  O7  1  0.820  0.151  0.604  1.0
  O  O8  1  0.602  0.469  0.731  1.0
  O  O9  1  0.296  0.892  0.316  1.0
  O  O10  1  0.398  0.542  0.288  1.0
  O  O11  1  0.114  0.626  0.209  1.0
  O  O12  1  0.771  0.829  0.874  1.0
  O  O13  1  0.809  0.345  0.855  1.0
  O  O14  1  0.217  0.112  0.091  1.0
  O  O15  1  0.497  0.741  0.505  1.0
  O  O16  1  0.554  0.229  0.412  1.0
[/CIF]
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