The compound described by FeP2O7 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-42°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-56°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. is represented by the CIF card [CIF]
data_FeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   6.589
_cell_length_c   6.952
_cell_angle_alpha   88.842
_cell_angle_beta   113.995
_cell_angle_gamma   94.900
_symmetry_Int_Tables_number   1
_cell_volume   265.997
_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
  Fe  Fe0  1  0.100  0.349  0.214  1.0
  Fe  Fe1  1  0.900  0.651  0.786  1.0
  P  P2  1  0.338  0.613  0.653  1.0
  P  P3  1  0.662  0.387  0.347  1.0
  P  P4  1  0.220  0.858  0.251  1.0
  P  P5  1  0.780  0.142  0.749  1.0
  O  O6  1  0.406  0.382  0.207  1.0
  O  O7  1  0.577  0.103  0.813  1.0
  O  O8  1  0.423  0.897  0.187  1.0
  O  O9  1  0.907  0.952  0.773  1.0
  O  O10  1  0.307  0.804  0.494  1.0
  O  O11  1  0.207  0.653  0.786  1.0
  O  O12  1  0.066  0.669  0.124  1.0
  O  O13  1  0.594  0.618  0.793  1.0
  O  O14  1  0.693  0.196  0.506  1.0
  O  O15  1  0.243  0.421  0.515  1.0
  O  O16  1  0.093  0.048  0.227  1.0
  O  O17  1  0.934  0.331  0.876  1.0
  O  O18  1  0.793  0.347  0.214  1.0
  O  O19  1  0.757  0.579  0.485  1.0
[/CIF]
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The compound described by FeP2O7 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-42°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-56°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. is represented by the CIF card [CIF]
data_FeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   6.589
_cell_length_c   6.952
_cell_angle_alpha   88.842
_cell_angle_beta   113.995
_cell_angle_gamma   94.900
_symmetry_Int_Tables_number   1
_cell_volume   265.997
_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
  Fe  Fe0  1  0.100  0.349  0.214  1.0
  Fe  Fe1  1  0.900  0.651  0.786  1.0
  P  P2  1  0.338  0.613  0.653  1.0
  P  P3  1  0.662  0.387  0.347  1.0
  P  P4  1  0.220  0.858  0.251  1.0
  P  P5  1  0.780  0.142  0.749  1.0
  O  O6  1  0.406  0.382  0.207  1.0
  O  O7  1  0.577  0.103  0.813  1.0
  O  O8  1  0.423  0.897  0.187  1.0
  O  O9  1  0.907  0.952  0.773  1.0
  O  O10  1  0.307  0.804  0.494  1.0
  O  O11  1  0.207  0.653  0.786  1.0
  O  O12  1  0.066  0.669  0.124  1.0
  O  O13  1  0.594  0.618  0.793  1.0
  O  O14  1  0.693  0.196  0.506  1.0
  O  O15  1  0.243  0.421  0.515  1.0
  O  O16  1  0.093  0.048  0.227  1.0
  O  O17  1  0.934  0.331  0.876  1.0
  O  O18  1  0.793  0.347  0.214  1.0
  O  O19  1  0.757  0.579  0.485  1.0
[/CIF]
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