The crystal structure described by Pb3Cu3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Cu(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the second O site, O(8) is bonded in a distorted single-bond geometry to one Pb(1) and one P(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), one Pb(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one Pb(1), and one P(1) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Pb(2), and one P(2) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one Cu(1), one Pb(2), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(1) atom. In the eighth O site, O(5) is bonded in a 2-coordinate geometry to one Cu(2), one Pb(1), one Pb(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Cu3P4Pb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.293
_cell_length_b   9.293
_cell_length_c   18.129
_cell_angle_alpha   65.017
_cell_angle_beta   65.017
_cell_angle_gamma   31.163
_symmetry_Int_Tables_number   1
_cell_volume   728.170
_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
  Cu  Cu0  1  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.996  0.554  0.353  1.0
  Cu  Cu3  1  0.446  0.004  0.147  1.0
  Cu  Cu4  1  0.004  0.446  0.647  1.0
  Cu  Cu5  1  0.554  0.996  0.853  1.0
  P  P6  1  0.109  0.621  0.470  1.0
  P  P7  1  0.379  0.891  0.030  1.0
  P  P8  1  0.891  0.379  0.530  1.0
  P  P9  1  0.621  0.109  0.970  1.0
  P  P10  1  0.877  0.424  0.262  1.0
  P  P11  1  0.576  0.123  0.238  1.0
  P  P12  1  0.123  0.576  0.738  1.0
  P  P13  1  0.424  0.877  0.762  1.0
  Pb  Pb14  1  0.212  0.788  0.250  1.0
  Pb  Pb15  1  0.788  0.212  0.750  1.0
  Pb  Pb16  1  0.303  0.911  0.405  1.0
  Pb  Pb17  1  0.089  0.697  0.095  1.0
  Pb  Pb18  1  0.697  0.089  0.595  1.0
  Pb  Pb19  1  0.911  0.303  0.905  1.0
  O  O20  1  0.858  0.728  0.537  1.0
  O  O21  1  0.272  0.142  0.963  1.0
  O  O22  1  0.142  0.272  0.463  1.0
  O  O23  1  0.728  0.858  0.037  1.0
  O  O24  1  0.049  0.686  0.385  1.0
  O  O25  1  0.314  0.951  0.115  1.0
  O  O26  1  0.951  0.314  0.615  1.0
  O  O27  1  0.686  0.049  0.885  1.0
  O  O28  1  0.388  0.301  0.495  1.0
  O  O29  1  0.699  0.612  0.005  1.0
  O  O30  1  0.612  0.699  0.505  1.0
  O  O31  1  0.301  0.388  0.995  1.0
  O  O32  1  0.115  0.778  0.473  1.0
  O  O33  1  0.222  0.885  0.027  1.0
  O  O34  1  0.885  0.222  0.527  1.0
  O  O35  1  0.778  0.115  0.973  1.0
  O  O36  1  0.559  0.722  0.258  1.0
  O  O37  1  0.278  0.441  0.242  1.0
  O  O38  1  0.441  0.278  0.742  1.0
  O  O39  1  0.722  0.559  0.758  1.0
  O  O40  1  0.964  0.391  0.333  1.0
  O  O41  1  0.609  0.036  0.167  1.0
  O  O42  1  0.036  0.609  0.667  1.0
  O  O43  1  0.391  0.964  0.833  1.0
  O  O44  1  0.044  0.391  0.178  1.0
  O  O45  1  0.609  0.956  0.322  1.0
  O  O46  1  0.956  0.609  0.822  1.0
  O  O47  1  0.391  0.044  0.678  1.0
  O  O48  1  0.934  0.197  0.292  1.0
  O  O49  1  0.803  0.066  0.208  1.0
  O  O50  1  0.066  0.803  0.708  1.0
  O  O51  1  0.197  0.934  0.792  1.0
[/CIF]
.
The crystal structure described by Pb3Cu3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Cu(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the second O site, O(8) is bonded in a distorted single-bond geometry to one Pb(1) and one P(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), one Pb(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one Pb(1), and one P(1) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Pb(2), and one P(2) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one Cu(1), one Pb(2), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(1) atom. In the eighth O site, O(5) is bonded in a 2-coordinate geometry to one Cu(2), one Pb(1), one Pb(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Cu3P4Pb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.293
_cell_length_b   9.293
_cell_length_c   18.129
_cell_angle_alpha   65.017
_cell_angle_beta   65.017
_cell_angle_gamma   31.163
_symmetry_Int_Tables_number   1
_cell_volume   728.170
_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
  Cu  Cu0  1  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.996  0.554  0.353  1.0
  Cu  Cu3  1  0.446  0.004  0.147  1.0
  Cu  Cu4  1  0.004  0.446  0.647  1.0
  Cu  Cu5  1  0.554  0.996  0.853  1.0
  P  P6  1  0.109  0.621  0.470  1.0
  P  P7  1  0.379  0.891  0.030  1.0
  P  P8  1  0.891  0.379  0.530  1.0
  P  P9  1  0.621  0.109  0.970  1.0
  P  P10  1  0.877  0.424  0.262  1.0
  P  P11  1  0.576  0.123  0.238  1.0
  P  P12  1  0.123  0.576  0.738  1.0
  P  P13  1  0.424  0.877  0.762  1.0
  Pb  Pb14  1  0.212  0.788  0.250  1.0
  Pb  Pb15  1  0.788  0.212  0.750  1.0
  Pb  Pb16  1  0.303  0.911  0.405  1.0
  Pb  Pb17  1  0.089  0.697  0.095  1.0
  Pb  Pb18  1  0.697  0.089  0.595  1.0
  Pb  Pb19  1  0.911  0.303  0.905  1.0
  O  O20  1  0.858  0.728  0.537  1.0
  O  O21  1  0.272  0.142  0.963  1.0
  O  O22  1  0.142  0.272  0.463  1.0
  O  O23  1  0.728  0.858  0.037  1.0
  O  O24  1  0.049  0.686  0.385  1.0
  O  O25  1  0.314  0.951  0.115  1.0
  O  O26  1  0.951  0.314  0.615  1.0
  O  O27  1  0.686  0.049  0.885  1.0
  O  O28  1  0.388  0.301  0.495  1.0
  O  O29  1  0.699  0.612  0.005  1.0
  O  O30  1  0.612  0.699  0.505  1.0
  O  O31  1  0.301  0.388  0.995  1.0
  O  O32  1  0.115  0.778  0.473  1.0
  O  O33  1  0.222  0.885  0.027  1.0
  O  O34  1  0.885  0.222  0.527  1.0
  O  O35  1  0.778  0.115  0.973  1.0
  O  O36  1  0.559  0.722  0.258  1.0
  O  O37  1  0.278  0.441  0.242  1.0
  O  O38  1  0.441  0.278  0.742  1.0
  O  O39  1  0.722  0.559  0.758  1.0
  O  O40  1  0.964  0.391  0.333  1.0
  O  O41  1  0.609  0.036  0.167  1.0
  O  O42  1  0.036  0.609  0.667  1.0
  O  O43  1  0.391  0.964  0.833  1.0
  O  O44  1  0.044  0.391  0.178  1.0
  O  O45  1  0.609  0.956  0.322  1.0
  O  O46  1  0.956  0.609  0.822  1.0
  O  O47  1  0.391  0.044  0.678  1.0
  O  O48  1  0.934  0.197  0.292  1.0
  O  O49  1  0.803  0.066  0.208  1.0
  O  O50  1  0.066  0.803  0.708  1.0
  O  O51  1  0.197  0.934  0.792  1.0
[/CIF]
.