The compound described by Ti2Cu(PO5)2 crystallizes in the monoclinic P2_1/c space group. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Cu(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Ti2Cu(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.921
_cell_length_b   7.146
_cell_length_c   7.389
_cell_angle_alpha   60.578
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.320
_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  0.282  0.262  0.035  1.0
  Ti  Ti1  1  0.782  0.738  0.465  1.0
  Ti  Ti2  1  0.718  0.738  0.965  1.0
  Ti  Ti3  1  0.218  0.262  0.535  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.597  0.250  0.747  1.0
  P  P7  1  0.097  0.750  0.753  1.0
  P  P8  1  0.403  0.750  0.253  1.0
  P  P9  1  0.903  0.250  0.247  1.0
  O  O10  1  0.788  0.056  0.376  1.0
  O  O11  1  0.288  0.944  0.124  1.0
  O  O12  1  0.212  0.944  0.624  1.0
  O  O13  1  0.712  0.056  0.876  1.0
  O  O14  1  0.489  0.310  0.884  1.0
  O  O15  1  0.989  0.690  0.616  1.0
  O  O16  1  0.511  0.690  0.116  1.0
  O  O17  1  0.011  0.310  0.384  1.0
  O  O18  1  0.708  0.441  0.600  1.0
  O  O19  1  0.208  0.559  0.900  1.0
  O  O20  1  0.853  0.776  0.224  1.0
  O  O21  1  0.353  0.224  0.276  1.0
  O  O22  1  0.147  0.224  0.776  1.0
  O  O23  1  0.647  0.776  0.724  1.0
  O  O24  1  0.972  0.812  0.879  1.0
  O  O25  1  0.472  0.188  0.621  1.0
  O  O26  1  0.028  0.188  0.121  1.0
  O  O27  1  0.528  0.812  0.379  1.0
  O  O28  1  0.792  0.441  0.100  1.0
  O  O29  1  0.292  0.559  0.400  1.0
[/CIF]
.
The compound described by Ti2Cu(PO5)2 crystallizes in the monoclinic P2_1/c space group. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Cu(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Ti2Cu(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.921
_cell_length_b   7.146
_cell_length_c   7.389
_cell_angle_alpha   60.578
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.320
_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  0.282  0.262  0.035  1.0
  Ti  Ti1  1  0.782  0.738  0.465  1.0
  Ti  Ti2  1  0.718  0.738  0.965  1.0
  Ti  Ti3  1  0.218  0.262  0.535  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.597  0.250  0.747  1.0
  P  P7  1  0.097  0.750  0.753  1.0
  P  P8  1  0.403  0.750  0.253  1.0
  P  P9  1  0.903  0.250  0.247  1.0
  O  O10  1  0.788  0.056  0.376  1.0
  O  O11  1  0.288  0.944  0.124  1.0
  O  O12  1  0.212  0.944  0.624  1.0
  O  O13  1  0.712  0.056  0.876  1.0
  O  O14  1  0.489  0.310  0.884  1.0
  O  O15  1  0.989  0.690  0.616  1.0
  O  O16  1  0.511  0.690  0.116  1.0
  O  O17  1  0.011  0.310  0.384  1.0
  O  O18  1  0.708  0.441  0.600  1.0
  O  O19  1  0.208  0.559  0.900  1.0
  O  O20  1  0.853  0.776  0.224  1.0
  O  O21  1  0.353  0.224  0.276  1.0
  O  O22  1  0.147  0.224  0.776  1.0
  O  O23  1  0.647  0.776  0.724  1.0
  O  O24  1  0.972  0.812  0.879  1.0
  O  O25  1  0.472  0.188  0.621  1.0
  O  O26  1  0.028  0.188  0.121  1.0
  O  O27  1  0.528  0.812  0.379  1.0
  O  O28  1  0.792  0.441  0.100  1.0
  O  O29  1  0.292  0.559  0.400  1.0
[/CIF]
.