The material described by Sr3Cu3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted SrO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Sr(2)O6 octahedra. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Sr(2)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-59°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sr(2)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sr(1), one Cu(2), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Cu(1), one Cu(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Sr(2), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Cu(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Sr3Cu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.516
_cell_length_b   9.516
_cell_length_c   17.440
_cell_angle_alpha   63.873
_cell_angle_beta   63.873
_cell_angle_gamma   30.500
_symmetry_Int_Tables_number   1
_cell_volume   713.166
_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
  Sr  Sr0  1  0.847  0.457  0.363  1.0
  Sr  Sr1  1  0.543  0.153  0.137  1.0
  Sr  Sr2  1  0.288  0.712  0.750  1.0
  Sr  Sr3  1  0.712  0.288  0.250  1.0
  Sr  Sr4  1  0.457  0.847  0.863  1.0
  Sr  Sr5  1  0.153  0.543  0.637  1.0
  Cu  Cu6  1  0.163  0.636  0.970  1.0
  Cu  Cu7  1  0.636  0.163  0.470  1.0
  Cu  Cu8  1  0.364  0.837  0.530  1.0
  Cu  Cu9  1  0.837  0.364  0.030  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.500  0.500  1.0
  P  P12  1  0.185  0.781  0.101  1.0
  P  P13  1  0.477  0.962  0.620  1.0
  P  P14  1  0.962  0.477  0.120  1.0
  P  P15  1  0.038  0.523  0.880  1.0
  P  P16  1  0.523  0.038  0.380  1.0
  P  P17  1  0.815  0.219  0.899  1.0
  P  P18  1  0.219  0.815  0.399  1.0
  P  P19  1  0.781  0.185  0.601  1.0
  O  O20  1  0.199  0.303  0.404  1.0
  O  O21  1  0.688  0.131  0.577  1.0
  O  O22  1  0.629  0.242  0.970  1.0
  O  O23  1  0.213  0.356  0.046  1.0
  O  O24  1  0.242  0.629  0.470  1.0
  O  O25  1  0.697  0.801  0.096  1.0
  O  O26  1  0.644  0.787  0.454  1.0
  O  O27  1  0.303  0.199  0.904  1.0
  O  O28  1  0.758  0.371  0.530  1.0
  O  O29  1  0.349  0.920  0.622  1.0
  O  O30  1  0.920  0.349  0.122  1.0
  O  O31  1  0.131  0.688  0.077  1.0
  O  O32  1  0.394  0.700  0.312  1.0
  O  O33  1  0.356  0.213  0.546  1.0
  O  O34  1  0.884  0.101  0.114  1.0
  O  O35  1  0.398  0.037  0.705  1.0
  O  O36  1  0.963  0.602  0.795  1.0
  O  O37  1  0.651  0.080  0.378  1.0
  O  O38  1  0.602  0.963  0.295  1.0
  O  O39  1  0.101  0.884  0.614  1.0
  O  O40  1  0.606  0.300  0.688  1.0
  O  O41  1  0.869  0.312  0.923  1.0
  O  O42  1  0.801  0.697  0.596  1.0
  O  O43  1  0.312  0.869  0.423  1.0
  O  O44  1  0.116  0.899  0.886  1.0
  O  O45  1  0.700  0.394  0.812  1.0
  O  O46  1  0.899  0.116  0.386  1.0
  O  O47  1  0.371  0.758  0.030  1.0
  O  O48  1  0.080  0.651  0.878  1.0
  O  O49  1  0.300  0.606  0.188  1.0
  O  O50  1  0.787  0.644  0.954  1.0
  O  O51  1  0.037  0.398  0.205  1.0
[/CIF]
.
The material described by Sr3Cu3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted SrO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Sr(2)O6 octahedra. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Sr(2)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-59°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sr(2)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sr(1), one Cu(2), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Cu(1), one Cu(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Sr(2), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Cu(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Sr3Cu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.516
_cell_length_b   9.516
_cell_length_c   17.440
_cell_angle_alpha   63.873
_cell_angle_beta   63.873
_cell_angle_gamma   30.500
_symmetry_Int_Tables_number   1
_cell_volume   713.166
_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
  Sr  Sr0  1  0.847  0.457  0.363  1.0
  Sr  Sr1  1  0.543  0.153  0.137  1.0
  Sr  Sr2  1  0.288  0.712  0.750  1.0
  Sr  Sr3  1  0.712  0.288  0.250  1.0
  Sr  Sr4  1  0.457  0.847  0.863  1.0
  Sr  Sr5  1  0.153  0.543  0.637  1.0
  Cu  Cu6  1  0.163  0.636  0.970  1.0
  Cu  Cu7  1  0.636  0.163  0.470  1.0
  Cu  Cu8  1  0.364  0.837  0.530  1.0
  Cu  Cu9  1  0.837  0.364  0.030  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.500  0.500  1.0
  P  P12  1  0.185  0.781  0.101  1.0
  P  P13  1  0.477  0.962  0.620  1.0
  P  P14  1  0.962  0.477  0.120  1.0
  P  P15  1  0.038  0.523  0.880  1.0
  P  P16  1  0.523  0.038  0.380  1.0
  P  P17  1  0.815  0.219  0.899  1.0
  P  P18  1  0.219  0.815  0.399  1.0
  P  P19  1  0.781  0.185  0.601  1.0
  O  O20  1  0.199  0.303  0.404  1.0
  O  O21  1  0.688  0.131  0.577  1.0
  O  O22  1  0.629  0.242  0.970  1.0
  O  O23  1  0.213  0.356  0.046  1.0
  O  O24  1  0.242  0.629  0.470  1.0
  O  O25  1  0.697  0.801  0.096  1.0
  O  O26  1  0.644  0.787  0.454  1.0
  O  O27  1  0.303  0.199  0.904  1.0
  O  O28  1  0.758  0.371  0.530  1.0
  O  O29  1  0.349  0.920  0.622  1.0
  O  O30  1  0.920  0.349  0.122  1.0
  O  O31  1  0.131  0.688  0.077  1.0
  O  O32  1  0.394  0.700  0.312  1.0
  O  O33  1  0.356  0.213  0.546  1.0
  O  O34  1  0.884  0.101  0.114  1.0
  O  O35  1  0.398  0.037  0.705  1.0
  O  O36  1  0.963  0.602  0.795  1.0
  O  O37  1  0.651  0.080  0.378  1.0
  O  O38  1  0.602  0.963  0.295  1.0
  O  O39  1  0.101  0.884  0.614  1.0
  O  O40  1  0.606  0.300  0.688  1.0
  O  O41  1  0.869  0.312  0.923  1.0
  O  O42  1  0.801  0.697  0.596  1.0
  O  O43  1  0.312  0.869  0.423  1.0
  O  O44  1  0.116  0.899  0.886  1.0
  O  O45  1  0.700  0.394  0.812  1.0
  O  O46  1  0.899  0.116  0.386  1.0
  O  O47  1  0.371  0.758  0.030  1.0
  O  O48  1  0.080  0.651  0.878  1.0
  O  O49  1  0.300  0.606  0.188  1.0
  O  O50  1  0.787  0.644  0.954  1.0
  O  O51  1  0.037  0.398  0.205  1.0
[/CIF]
.