The material structure described by Fe3Sb(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted FeO6 pentagonal pyramids that share corners with four equivalent Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-47°. In the second Fe site, Fe(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted FeO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the third Fe site, Fe(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. Sb(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form SbO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 pentagonal pyramids, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Fe(1)O6 pentagonal pyramid, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O6 pentagonal pyramid, and  an edgeedge with one Fe(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 48-55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) 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(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Sb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(4) atom. is represented by the CIF file [CIF]
data_Fe3Sb(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.959
_cell_length_b   10.136
_cell_length_c   6.095
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.646
_symmetry_Int_Tables_number   1
_cell_volume   306.270
_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
  Fe  Fe0  1  0.462  0.228  0.750  1.0
  Fe  Fe1  1  0.530  0.777  0.250  1.0
  Fe  Fe2  1  0.967  0.273  0.250  1.0
  Sb  Sb3  1  0.037  0.720  0.750  1.0
  P  P4  1  0.078  0.590  0.250  1.0
  P  P5  1  0.422  0.103  0.250  1.0
  P  P6  1  0.595  0.908  0.750  1.0
  P  P7  1  0.905  0.395  0.750  1.0
  O  O8  1  0.146  0.442  0.250  1.0
  O  O9  1  0.228  0.662  0.054  1.0
  O  O10  1  0.228  0.662  0.446  1.0
  O  O11  1  0.213  0.380  0.750  1.0
  O  O12  1  0.288  0.886  0.750  1.0
  O  O13  1  0.277  0.179  0.052  1.0
  O  O14  1  0.277  0.179  0.448  1.0
  O  O15  1  0.360  0.958  0.250  1.0
  O  O16  1  0.645  0.056  0.750  1.0
  O  O17  1  0.743  0.834  0.554  1.0
  O  O18  1  0.743  0.834  0.946  1.0
  O  O19  1  0.726  0.127  0.250  1.0
  O  O20  1  0.777  0.617  0.250  1.0
  O  O21  1  0.770  0.322  0.552  1.0
  O  O22  1  0.770  0.322  0.948  1.0
  O  O23  1  0.815  0.543  0.750  1.0
[/CIF]
.
The material structure described by Fe3Sb(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted FeO6 pentagonal pyramids that share corners with four equivalent Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-47°. In the second Fe site, Fe(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted FeO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the third Fe site, Fe(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. Sb(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form SbO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 pentagonal pyramids, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Fe(1)O6 pentagonal pyramid, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O6 pentagonal pyramid, and  an edgeedge with one Fe(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 48-55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) 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(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Sb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(4) atom. is represented by the CIF file [CIF]
data_Fe3Sb(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.959
_cell_length_b   10.136
_cell_length_c   6.095
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.646
_symmetry_Int_Tables_number   1
_cell_volume   306.270
_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
  Fe  Fe0  1  0.462  0.228  0.750  1.0
  Fe  Fe1  1  0.530  0.777  0.250  1.0
  Fe  Fe2  1  0.967  0.273  0.250  1.0
  Sb  Sb3  1  0.037  0.720  0.750  1.0
  P  P4  1  0.078  0.590  0.250  1.0
  P  P5  1  0.422  0.103  0.250  1.0
  P  P6  1  0.595  0.908  0.750  1.0
  P  P7  1  0.905  0.395  0.750  1.0
  O  O8  1  0.146  0.442  0.250  1.0
  O  O9  1  0.228  0.662  0.054  1.0
  O  O10  1  0.228  0.662  0.446  1.0
  O  O11  1  0.213  0.380  0.750  1.0
  O  O12  1  0.288  0.886  0.750  1.0
  O  O13  1  0.277  0.179  0.052  1.0
  O  O14  1  0.277  0.179  0.448  1.0
  O  O15  1  0.360  0.958  0.250  1.0
  O  O16  1  0.645  0.056  0.750  1.0
  O  O17  1  0.743  0.834  0.554  1.0
  O  O18  1  0.743  0.834  0.946  1.0
  O  O19  1  0.726  0.127  0.250  1.0
  O  O20  1  0.777  0.617  0.250  1.0
  O  O21  1  0.770  0.322  0.552  1.0
  O  O22  1  0.770  0.322  0.948  1.0
  O  O23  1  0.815  0.543  0.750  1.0
[/CIF]
.