The material described by SbP2O7 crystallizes in the triclinic P-1 space group. Sb(1) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sb(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-50°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sb(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 distorted trigonal planar geometry to two equivalent Sb(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(2) atom. is represented by the CIF card [CIF]
data_SbP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.532
_cell_length_b   6.625
_cell_length_c   7.151
_cell_angle_alpha   112.594
_cell_angle_beta   87.727
_cell_angle_gamma   97.861
_symmetry_Int_Tables_number   1
_cell_volume   282.992
_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
  Sb  Sb0  1  0.325  0.089  0.229  1.0
  Sb  Sb1  1  0.675  0.911  0.771  1.0
  P  P2  1  0.136  0.774  0.754  1.0
  P  P3  1  0.384  0.657  0.359  1.0
  P  P4  1  0.616  0.343  0.641  1.0
  P  P5  1  0.864  0.226  0.246  1.0
  O  O6  1  0.011  0.077  0.286  1.0
  O  O7  1  0.043  0.622  0.848  1.0
  O  O8  1  0.299  0.776  0.240  1.0
  O  O9  1  0.227  0.643  0.533  1.0
  O  O10  1  0.336  0.940  0.877  1.0
  O  O11  1  0.411  0.419  0.227  1.0
  O  O12  1  0.408  0.215  0.533  1.0
  O  O13  1  0.592  0.785  0.467  1.0
  O  O14  1  0.589  0.581  0.773  1.0
  O  O15  1  0.664  0.060  0.123  1.0
  O  O16  1  0.773  0.357  0.467  1.0
  O  O17  1  0.701  0.224  0.760  1.0
  O  O18  1  0.957  0.378  0.152  1.0
  O  O19  1  0.989  0.923  0.714  1.0
[/CIF]
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The material described by SbP2O7 crystallizes in the triclinic P-1 space group. Sb(1) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sb(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-50°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sb(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 distorted trigonal planar geometry to two equivalent Sb(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(2) atom. is represented by the CIF card [CIF]
data_SbP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.532
_cell_length_b   6.625
_cell_length_c   7.151
_cell_angle_alpha   112.594
_cell_angle_beta   87.727
_cell_angle_gamma   97.861
_symmetry_Int_Tables_number   1
_cell_volume   282.992
_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
  Sb  Sb0  1  0.325  0.089  0.229  1.0
  Sb  Sb1  1  0.675  0.911  0.771  1.0
  P  P2  1  0.136  0.774  0.754  1.0
  P  P3  1  0.384  0.657  0.359  1.0
  P  P4  1  0.616  0.343  0.641  1.0
  P  P5  1  0.864  0.226  0.246  1.0
  O  O6  1  0.011  0.077  0.286  1.0
  O  O7  1  0.043  0.622  0.848  1.0
  O  O8  1  0.299  0.776  0.240  1.0
  O  O9  1  0.227  0.643  0.533  1.0
  O  O10  1  0.336  0.940  0.877  1.0
  O  O11  1  0.411  0.419  0.227  1.0
  O  O12  1  0.408  0.215  0.533  1.0
  O  O13  1  0.592  0.785  0.467  1.0
  O  O14  1  0.589  0.581  0.773  1.0
  O  O15  1  0.664  0.060  0.123  1.0
  O  O16  1  0.773  0.357  0.467  1.0
  O  O17  1  0.701  0.224  0.760  1.0
  O  O18  1  0.957  0.378  0.152  1.0
  O  O19  1  0.989  0.923  0.714  1.0
[/CIF]
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