The crystal structure described by CrFe(PO4)2 crystallizes in the monoclinic P2_1/m space group. Cr(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. Fe(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. is represented by the CIF file [CIF]
data_CrFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   4.837
_cell_length_c   9.965
_cell_angle_alpha   88.985
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.881
_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
  Cr  Cr0  1  0.750  0.472  0.772  1.0
  Cr  Cr1  1  0.250  0.528  0.228  1.0
  Fe  Fe2  1  0.250  0.969  0.729  1.0
  Fe  Fe3  1  0.750  0.031  0.271  1.0
  P  P4  1  0.250  0.410  0.908  1.0
  P  P5  1  0.750  0.920  0.595  1.0
  P  P6  1  0.250  0.080  0.405  1.0
  P  P7  1  0.750  0.590  0.092  1.0
  O  O8  1  0.750  0.670  0.944  1.0
  O  O9  1  0.250  0.723  0.885  1.0
  O  O10  1  0.045  0.266  0.831  1.0
  O  O11  1  0.455  0.266  0.831  1.0
  O  O12  1  0.953  0.767  0.673  1.0
  O  O13  1  0.547  0.767  0.673  1.0
  O  O14  1  0.750  0.231  0.614  1.0
  O  O15  1  0.250  0.152  0.553  1.0
  O  O16  1  0.750  0.848  0.447  1.0
  O  O17  1  0.250  0.769  0.386  1.0
  O  O18  1  0.047  0.233  0.327  1.0
  O  O19  1  0.453  0.233  0.327  1.0
  O  O20  1  0.545  0.734  0.169  1.0
  O  O21  1  0.955  0.734  0.169  1.0
  O  O22  1  0.750  0.277  0.115  1.0
  O  O23  1  0.250  0.330  0.056  1.0
[/CIF]
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The crystal structure described by CrFe(PO4)2 crystallizes in the monoclinic P2_1/m space group. Cr(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. Fe(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. is represented by the CIF file [CIF]
data_CrFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   4.837
_cell_length_c   9.965
_cell_angle_alpha   88.985
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.881
_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
  Cr  Cr0  1  0.750  0.472  0.772  1.0
  Cr  Cr1  1  0.250  0.528  0.228  1.0
  Fe  Fe2  1  0.250  0.969  0.729  1.0
  Fe  Fe3  1  0.750  0.031  0.271  1.0
  P  P4  1  0.250  0.410  0.908  1.0
  P  P5  1  0.750  0.920  0.595  1.0
  P  P6  1  0.250  0.080  0.405  1.0
  P  P7  1  0.750  0.590  0.092  1.0
  O  O8  1  0.750  0.670  0.944  1.0
  O  O9  1  0.250  0.723  0.885  1.0
  O  O10  1  0.045  0.266  0.831  1.0
  O  O11  1  0.455  0.266  0.831  1.0
  O  O12  1  0.953  0.767  0.673  1.0
  O  O13  1  0.547  0.767  0.673  1.0
  O  O14  1  0.750  0.231  0.614  1.0
  O  O15  1  0.250  0.152  0.553  1.0
  O  O16  1  0.750  0.848  0.447  1.0
  O  O17  1  0.250  0.769  0.386  1.0
  O  O18  1  0.047  0.233  0.327  1.0
  O  O19  1  0.453  0.233  0.327  1.0
  O  O20  1  0.545  0.734  0.169  1.0
  O  O21  1  0.955  0.734  0.169  1.0
  O  O22  1  0.750  0.277  0.115  1.0
  O  O23  1  0.250  0.330  0.056  1.0
[/CIF]
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