The crystal structure described by Cr2Cu5(P2O9)2 crystallizes in the monoclinic C2/m space group. Cr(1) is bonded to one O(2), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cu(1)O5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CuO5 square pyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 62°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Cu(1)O5 square pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-42°. In the second P site, P(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 44-48°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a linear geometry to one Cr(1) and one P(1) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the third O site, O(7) is bonded to two equivalent Cr(1) and two equivalent Cu(1) atoms to form edge-sharing OCr2Cu2 trigonal pyramids. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cu(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Cr2Cu5(P2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.375
_cell_length_b   7.375
_cell_length_c   8.385
_cell_angle_alpha   70.049
_cell_angle_beta   70.049
_cell_angle_gamma   51.911
_symmetry_Int_Tables_number   1
_cell_volume   332.123
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.391  0.391  0.971  1.0
  Cr  Cr1  1  0.609  0.609  0.029  1.0
  Cu  Cu2  1  0.120  0.633  0.269  1.0
  Cu  Cu3  1  0.633  0.120  0.269  1.0
  Cu  Cu4  1  0.880  0.367  0.731  1.0
  Cu  Cu5  1  0.367  0.880  0.731  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  P  P7  1  0.342  0.342  0.595  1.0
  P  P8  1  0.658  0.658  0.405  1.0
  P  P9  1  0.126  0.126  0.090  1.0
  P  P10  1  0.874  0.874  0.910  1.0
  O  O11  1  0.024  0.024  0.261  1.0
  O  O12  1  0.976  0.976  0.739  1.0
  O  O13  1  0.230  0.230  0.126  1.0
  O  O14  1  0.770  0.770  0.874  1.0
  O  O15  1  0.184  0.588  0.491  1.0
  O  O16  1  0.588  0.184  0.491  1.0
  O  O17  1  0.816  0.412  0.509  1.0
  O  O18  1  0.412  0.816  0.509  1.0
  O  O19  1  0.076  0.692  0.018  1.0
  O  O20  1  0.692  0.076  0.018  1.0
  O  O21  1  0.924  0.308  0.982  1.0
  O  O22  1  0.308  0.924  0.982  1.0
  O  O23  1  0.365  0.365  0.757  1.0
  O  O24  1  0.635  0.635  0.243  1.0
  O  O25  1  0.786  0.786  0.360  1.0
  O  O26  1  0.214  0.214  0.640  1.0
  O  O27  1  0.443  0.443  0.165  1.0
  O  O28  1  0.557  0.557  0.835  1.0
[/CIF]
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The crystal structure described by Cr2Cu5(P2O9)2 crystallizes in the monoclinic C2/m space group. Cr(1) is bonded to one O(2), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cu(1)O5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CuO5 square pyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 62°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Cu(1)O5 square pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-42°. In the second P site, P(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 44-48°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a linear geometry to one Cr(1) and one P(1) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the third O site, O(7) is bonded to two equivalent Cr(1) and two equivalent Cu(1) atoms to form edge-sharing OCr2Cu2 trigonal pyramids. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cu(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Cr2Cu5(P2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.375
_cell_length_b   7.375
_cell_length_c   8.385
_cell_angle_alpha   70.049
_cell_angle_beta   70.049
_cell_angle_gamma   51.911
_symmetry_Int_Tables_number   1
_cell_volume   332.123
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.391  0.391  0.971  1.0
  Cr  Cr1  1  0.609  0.609  0.029  1.0
  Cu  Cu2  1  0.120  0.633  0.269  1.0
  Cu  Cu3  1  0.633  0.120  0.269  1.0
  Cu  Cu4  1  0.880  0.367  0.731  1.0
  Cu  Cu5  1  0.367  0.880  0.731  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  P  P7  1  0.342  0.342  0.595  1.0
  P  P8  1  0.658  0.658  0.405  1.0
  P  P9  1  0.126  0.126  0.090  1.0
  P  P10  1  0.874  0.874  0.910  1.0
  O  O11  1  0.024  0.024  0.261  1.0
  O  O12  1  0.976  0.976  0.739  1.0
  O  O13  1  0.230  0.230  0.126  1.0
  O  O14  1  0.770  0.770  0.874  1.0
  O  O15  1  0.184  0.588  0.491  1.0
  O  O16  1  0.588  0.184  0.491  1.0
  O  O17  1  0.816  0.412  0.509  1.0
  O  O18  1  0.412  0.816  0.509  1.0
  O  O19  1  0.076  0.692  0.018  1.0
  O  O20  1  0.692  0.076  0.018  1.0
  O  O21  1  0.924  0.308  0.982  1.0
  O  O22  1  0.308  0.924  0.982  1.0
  O  O23  1  0.365  0.365  0.757  1.0
  O  O24  1  0.635  0.635  0.243  1.0
  O  O25  1  0.786  0.786  0.360  1.0
  O  O26  1  0.214  0.214  0.640  1.0
  O  O27  1  0.443  0.443  0.165  1.0
  O  O28  1  0.557  0.557  0.835  1.0
[/CIF]
.