The material described by BaTiCu4P4O17 crystallizes in the tetragonal P42_12 space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(5) atoms. Ti(1) is bonded to one O(4) and four equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), and two equivalent O(1) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O5 trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(4) is bonded in a single-bond geometry to one Ti(1) atom. In the third O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTiCu4P4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.714
_cell_length_b   9.714
_cell_length_c   7.249
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   683.943
_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
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ti  Ti2  1  0.000  0.500  0.975  1.0
  Ti  Ti3  1  0.500  0.000  0.025  1.0
  Cu  Cu4  1  0.768  0.512  0.405  1.0
  Cu  Cu5  1  0.232  0.488  0.405  1.0
  Cu  Cu6  1  0.732  0.012  0.595  1.0
  Cu  Cu7  1  0.268  0.988  0.595  1.0
  Cu  Cu8  1  0.512  0.768  0.595  1.0
  Cu  Cu9  1  0.488  0.232  0.595  1.0
  Cu  Cu10  1  0.012  0.732  0.405  1.0
  Cu  Cu11  1  0.988  0.268  0.405  1.0
  P  P12  1  0.781  0.307  0.738  1.0
  P  P13  1  0.219  0.693  0.738  1.0
  P  P14  1  0.719  0.807  0.262  1.0
  P  P15  1  0.281  0.193  0.262  1.0
  P  P16  1  0.307  0.781  0.262  1.0
  P  P17  1  0.693  0.219  0.262  1.0
  P  P18  1  0.807  0.719  0.738  1.0
  P  P19  1  0.193  0.281  0.738  1.0
  O  O20  1  0.849  0.364  0.555  1.0
  O  O21  1  0.151  0.636  0.555  1.0
  O  O22  1  0.651  0.864  0.445  1.0
  O  O23  1  0.349  0.136  0.445  1.0
  O  O24  1  0.364  0.849  0.445  1.0
  O  O25  1  0.636  0.151  0.445  1.0
  O  O26  1  0.864  0.651  0.555  1.0
  O  O27  1  0.136  0.349  0.555  1.0
  O  O28  1  0.625  0.338  0.732  1.0
  O  O29  1  0.375  0.662  0.732  1.0
  O  O30  1  0.875  0.838  0.268  1.0
  O  O31  1  0.125  0.162  0.268  1.0
  O  O32  1  0.338  0.625  0.268  1.0
  O  O33  1  0.662  0.375  0.268  1.0
  O  O34  1  0.838  0.875  0.732  1.0
  O  O35  1  0.162  0.125  0.732  1.0
  O  O36  1  0.839  0.387  0.904  1.0
  O  O37  1  0.161  0.613  0.904  1.0
  O  O38  1  0.661  0.887  0.096  1.0
  O  O39  1  0.339  0.113  0.096  1.0
  O  O40  1  0.387  0.839  0.096  1.0
  O  O41  1  0.613  0.161  0.096  1.0
  O  O42  1  0.887  0.661  0.904  1.0
  O  O43  1  0.113  0.339  0.904  1.0
  O  O44  1  0.000  0.500  0.210  1.0
  O  O45  1  0.500  0.000  0.790  1.0
  O  O46  1  0.818  0.153  0.752  1.0
  O  O47  1  0.182  0.847  0.752  1.0
  O  O48  1  0.682  0.653  0.248  1.0
  O  O49  1  0.318  0.347  0.248  1.0
  O  O50  1  0.153  0.818  0.248  1.0
  O  O51  1  0.847  0.182  0.248  1.0
  O  O52  1  0.653  0.682  0.752  1.0
  O  O53  1  0.347  0.318  0.752  1.0
[/CIF]
.
The material described by BaTiCu4P4O17 crystallizes in the tetragonal P42_12 space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(5) atoms. Ti(1) is bonded to one O(4) and four equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), and two equivalent O(1) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O5 trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(4) is bonded in a single-bond geometry to one Ti(1) atom. In the third O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTiCu4P4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.714
_cell_length_b   9.714
_cell_length_c   7.249
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   683.943
_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
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ti  Ti2  1  0.000  0.500  0.975  1.0
  Ti  Ti3  1  0.500  0.000  0.025  1.0
  Cu  Cu4  1  0.768  0.512  0.405  1.0
  Cu  Cu5  1  0.232  0.488  0.405  1.0
  Cu  Cu6  1  0.732  0.012  0.595  1.0
  Cu  Cu7  1  0.268  0.988  0.595  1.0
  Cu  Cu8  1  0.512  0.768  0.595  1.0
  Cu  Cu9  1  0.488  0.232  0.595  1.0
  Cu  Cu10  1  0.012  0.732  0.405  1.0
  Cu  Cu11  1  0.988  0.268  0.405  1.0
  P  P12  1  0.781  0.307  0.738  1.0
  P  P13  1  0.219  0.693  0.738  1.0
  P  P14  1  0.719  0.807  0.262  1.0
  P  P15  1  0.281  0.193  0.262  1.0
  P  P16  1  0.307  0.781  0.262  1.0
  P  P17  1  0.693  0.219  0.262  1.0
  P  P18  1  0.807  0.719  0.738  1.0
  P  P19  1  0.193  0.281  0.738  1.0
  O  O20  1  0.849  0.364  0.555  1.0
  O  O21  1  0.151  0.636  0.555  1.0
  O  O22  1  0.651  0.864  0.445  1.0
  O  O23  1  0.349  0.136  0.445  1.0
  O  O24  1  0.364  0.849  0.445  1.0
  O  O25  1  0.636  0.151  0.445  1.0
  O  O26  1  0.864  0.651  0.555  1.0
  O  O27  1  0.136  0.349  0.555  1.0
  O  O28  1  0.625  0.338  0.732  1.0
  O  O29  1  0.375  0.662  0.732  1.0
  O  O30  1  0.875  0.838  0.268  1.0
  O  O31  1  0.125  0.162  0.268  1.0
  O  O32  1  0.338  0.625  0.268  1.0
  O  O33  1  0.662  0.375  0.268  1.0
  O  O34  1  0.838  0.875  0.732  1.0
  O  O35  1  0.162  0.125  0.732  1.0
  O  O36  1  0.839  0.387  0.904  1.0
  O  O37  1  0.161  0.613  0.904  1.0
  O  O38  1  0.661  0.887  0.096  1.0
  O  O39  1  0.339  0.113  0.096  1.0
  O  O40  1  0.387  0.839  0.096  1.0
  O  O41  1  0.613  0.161  0.096  1.0
  O  O42  1  0.887  0.661  0.904  1.0
  O  O43  1  0.113  0.339  0.904  1.0
  O  O44  1  0.000  0.500  0.210  1.0
  O  O45  1  0.500  0.000  0.790  1.0
  O  O46  1  0.818  0.153  0.752  1.0
  O  O47  1  0.182  0.847  0.752  1.0
  O  O48  1  0.682  0.653  0.248  1.0
  O  O49  1  0.318  0.347  0.248  1.0
  O  O50  1  0.153  0.818  0.248  1.0
  O  O51  1  0.847  0.182  0.248  1.0
  O  O52  1  0.653  0.682  0.752  1.0
  O  O53  1  0.347  0.318  0.752  1.0
[/CIF]
.