The compound described by Ti3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent As(2)O5 trigonal bipyramids and edges with two equivalent As(2)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(7), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(8) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form AsO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Ti(1), one Ti(2), one Zn(1), and one As(2) atom to form a mixture of distorted corner and edge-sharing OTi2ZnAs trigonal pyramids. In the second O site, O(8) is bonded in a bent 120 degrees geometry to one Ti(1) and one Zn(2) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one As(1) atom. In the seventh O site, O(5) is bonded to one Ti(1), one Ti(2), one Zn(1), and one As(2) atom to form a mixture of distorted corner and edge-sharing OTi2ZnAs trigonal pyramids. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(2), one As(1), and one As(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Zn3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.938
_cell_length_b   8.630
_cell_length_c   16.281
_cell_angle_alpha   76.035
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   673.273
_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
  Ti  Ti0  1  0.448  0.227  0.615  1.0
  Ti  Ti1  1  0.552  0.773  0.385  1.0
  Ti  Ti2  1  0.948  0.773  0.885  1.0
  Ti  Ti3  1  0.052  0.227  0.115  1.0
  Ti  Ti4  1  0.000  0.500  0.500  1.0
  Ti  Ti5  1  0.500  0.500  0.000  1.0
  Zn  Zn6  1  0.573  0.402  0.208  1.0
  Zn  Zn7  1  0.073  0.598  0.292  1.0
  Zn  Zn8  1  0.427  0.598  0.792  1.0
  Zn  Zn9  1  0.927  0.402  0.708  1.0
  Zn  Zn10  1  0.500  0.000  0.500  1.0
  Zn  Zn11  1  0.000  0.000  0.000  1.0
  As  As12  1  0.942  0.110  0.329  1.0
  As  As13  1  0.492  0.378  0.405  1.0
  As  As14  1  0.992  0.622  0.095  1.0
  As  As15  1  0.008  0.378  0.905  1.0
  As  As16  1  0.058  0.890  0.671  1.0
  As  As17  1  0.508  0.622  0.595  1.0
  As  As18  1  0.558  0.110  0.829  1.0
  As  As19  1  0.442  0.890  0.171  1.0
  O  O20  1  0.348  0.770  0.275  1.0
  O  O21  1  0.710  0.705  0.994  1.0
  O  O22  1  0.331  0.410  0.304  1.0
  O  O23  1  0.300  0.080  0.177  1.0
  O  O24  1  0.669  0.590  0.696  1.0
  O  O25  1  0.152  0.770  0.775  1.0
  O  O26  1  0.831  0.590  0.196  1.0
  O  O27  1  0.702  0.512  0.887  1.0
  O  O28  1  0.835  0.183  0.894  1.0
  O  O29  1  0.652  0.230  0.725  1.0
  O  O30  1  0.200  0.080  0.677  1.0
  O  O31  1  0.298  0.488  0.113  1.0
  O  O32  1  0.305  0.578  0.427  1.0
  O  O33  1  0.165  0.817  0.106  1.0
  O  O34  1  0.662  0.105  0.574  1.0
  O  O35  1  0.162  0.895  0.926  1.0
  O  O36  1  0.805  0.422  0.073  1.0
  O  O37  1  0.169  0.410  0.804  1.0
  O  O38  1  0.335  0.817  0.606  1.0
  O  O39  1  0.202  0.488  0.613  1.0
  O  O40  1  0.838  0.105  0.074  1.0
  O  O41  1  0.338  0.895  0.426  1.0
  O  O42  1  0.290  0.295  0.006  1.0
  O  O43  1  0.210  0.295  0.506  1.0
  O  O44  1  0.695  0.422  0.573  1.0
  O  O45  1  0.848  0.230  0.225  1.0
  O  O46  1  0.700  0.920  0.823  1.0
  O  O47  1  0.665  0.183  0.394  1.0
  O  O48  1  0.790  0.705  0.494  1.0
  O  O49  1  0.798  0.512  0.387  1.0
  O  O50  1  0.195  0.578  0.927  1.0
  O  O51  1  0.800  0.920  0.323  1.0
[/CIF]
.
The compound described by Ti3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent As(2)O5 trigonal bipyramids and edges with two equivalent As(2)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(7), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(8) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form AsO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Ti(1), one Ti(2), one Zn(1), and one As(2) atom to form a mixture of distorted corner and edge-sharing OTi2ZnAs trigonal pyramids. In the second O site, O(8) is bonded in a bent 120 degrees geometry to one Ti(1) and one Zn(2) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one As(1) atom. In the seventh O site, O(5) is bonded to one Ti(1), one Ti(2), one Zn(1), and one As(2) atom to form a mixture of distorted corner and edge-sharing OTi2ZnAs trigonal pyramids. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(2), one As(1), and one As(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Zn3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.938
_cell_length_b   8.630
_cell_length_c   16.281
_cell_angle_alpha   76.035
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   673.273
_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
  Ti  Ti0  1  0.448  0.227  0.615  1.0
  Ti  Ti1  1  0.552  0.773  0.385  1.0
  Ti  Ti2  1  0.948  0.773  0.885  1.0
  Ti  Ti3  1  0.052  0.227  0.115  1.0
  Ti  Ti4  1  0.000  0.500  0.500  1.0
  Ti  Ti5  1  0.500  0.500  0.000  1.0
  Zn  Zn6  1  0.573  0.402  0.208  1.0
  Zn  Zn7  1  0.073  0.598  0.292  1.0
  Zn  Zn8  1  0.427  0.598  0.792  1.0
  Zn  Zn9  1  0.927  0.402  0.708  1.0
  Zn  Zn10  1  0.500  0.000  0.500  1.0
  Zn  Zn11  1  0.000  0.000  0.000  1.0
  As  As12  1  0.942  0.110  0.329  1.0
  As  As13  1  0.492  0.378  0.405  1.0
  As  As14  1  0.992  0.622  0.095  1.0
  As  As15  1  0.008  0.378  0.905  1.0
  As  As16  1  0.058  0.890  0.671  1.0
  As  As17  1  0.508  0.622  0.595  1.0
  As  As18  1  0.558  0.110  0.829  1.0
  As  As19  1  0.442  0.890  0.171  1.0
  O  O20  1  0.348  0.770  0.275  1.0
  O  O21  1  0.710  0.705  0.994  1.0
  O  O22  1  0.331  0.410  0.304  1.0
  O  O23  1  0.300  0.080  0.177  1.0
  O  O24  1  0.669  0.590  0.696  1.0
  O  O25  1  0.152  0.770  0.775  1.0
  O  O26  1  0.831  0.590  0.196  1.0
  O  O27  1  0.702  0.512  0.887  1.0
  O  O28  1  0.835  0.183  0.894  1.0
  O  O29  1  0.652  0.230  0.725  1.0
  O  O30  1  0.200  0.080  0.677  1.0
  O  O31  1  0.298  0.488  0.113  1.0
  O  O32  1  0.305  0.578  0.427  1.0
  O  O33  1  0.165  0.817  0.106  1.0
  O  O34  1  0.662  0.105  0.574  1.0
  O  O35  1  0.162  0.895  0.926  1.0
  O  O36  1  0.805  0.422  0.073  1.0
  O  O37  1  0.169  0.410  0.804  1.0
  O  O38  1  0.335  0.817  0.606  1.0
  O  O39  1  0.202  0.488  0.613  1.0
  O  O40  1  0.838  0.105  0.074  1.0
  O  O41  1  0.338  0.895  0.426  1.0
  O  O42  1  0.290  0.295  0.006  1.0
  O  O43  1  0.210  0.295  0.506  1.0
  O  O44  1  0.695  0.422  0.573  1.0
  O  O45  1  0.848  0.230  0.225  1.0
  O  O46  1  0.700  0.920  0.823  1.0
  O  O47  1  0.665  0.183  0.394  1.0
  O  O48  1  0.790  0.705  0.494  1.0
  O  O49  1  0.798  0.512  0.387  1.0
  O  O50  1  0.195  0.578  0.927  1.0
  O  O51  1  0.800  0.920  0.323  1.0
[/CIF]
.