The material described by FeSb3(PO4)4 crystallizes in the monoclinic Pm space group. Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted SbO6 pentagonal pyramids that share corners with four equivalent Sb(3)O6 pentagonal pyramids,  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. In the second Sb site, Sb(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form SbO6 pentagonal pyramids that share  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. In the third Sb site, Sb(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted SbO6 pentagonal pyramids that share corners with four equivalent Sb(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(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. 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 Sb(3)O6 pentagonal pyramid, corners with two equivalent Sb(1)O6 pentagonal pyramids, and  an edgeedge with one Sb(3)O6 pentagonal pyramid. 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 Sb(3)O6 pentagonal pyramid and corners with two equivalent Sb(2)O6 pentagonal pyramids. 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 pentagonal pyramid,  a cornercorner with one Sb(2)O6 pentagonal pyramid, corners with two equivalent Sb(3)O6 pentagonal pyramids, and  an edgeedge with one Sb(1)O6 pentagonal pyramid. 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 pentagonal pyramid,  a cornercorner with one Sb(2)O6 pentagonal pyramid, and  an edgeedge with one Sb(2)O6 pentagonal pyramid. There are twelve 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 3-coordinate geometry to one Sb(1), one Sb(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Sb(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Sb(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Sb(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Sb(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Fe(1), one Sb(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(4) atom. is represented by the CIF file [CIF]
data_FeSb3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.928
_cell_length_b   4.985
_cell_length_c   10.238
_cell_angle_alpha   87.174
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.170
_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  0.500  0.969  0.731  1.0
  Sb  Sb1  1  0.000  0.046  0.281  1.0
  Sb  Sb2  1  0.000  0.455  0.783  1.0
  Sb  Sb3  1  0.500  0.546  0.223  1.0
  P  P4  1  0.500  0.090  0.413  1.0
  P  P5  1  0.500  0.378  0.892  1.0
  P  P6  1  0.000  0.631  0.091  1.0
  P  P7  1  0.000  0.900  0.600  1.0
  O  O8  1  0.500  0.135  0.560  1.0
  O  O9  1  0.327  0.241  0.340  1.0
  O  O10  1  0.673  0.241  0.340  1.0
  O  O11  1  0.000  0.206  0.601  1.0
  O  O12  1  0.000  0.325  0.098  1.0
  O  O13  1  0.327  0.238  0.821  1.0
  O  O14  1  0.673  0.238  0.821  1.0
  O  O15  1  0.500  0.315  0.038  1.0
  O  O16  1  0.000  0.739  0.948  1.0
  O  O17  1  0.827  0.754  0.173  1.0
  O  O18  1  0.173  0.754  0.173  1.0
  O  O19  1  0.500  0.683  0.860  1.0
  O  O20  1  0.500  0.788  0.394  1.0
  O  O21  1  0.824  0.764  0.679  1.0
  O  O22  1  0.176  0.764  0.679  1.0
  O  O23  1  0.000  0.800  0.459  1.0
[/CIF]
.
The material described by FeSb3(PO4)4 crystallizes in the monoclinic Pm space group. Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted SbO6 pentagonal pyramids that share corners with four equivalent Sb(3)O6 pentagonal pyramids,  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. In the second Sb site, Sb(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form SbO6 pentagonal pyramids that share  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. In the third Sb site, Sb(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted SbO6 pentagonal pyramids that share corners with four equivalent Sb(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(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. 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 Sb(3)O6 pentagonal pyramid, corners with two equivalent Sb(1)O6 pentagonal pyramids, and  an edgeedge with one Sb(3)O6 pentagonal pyramid. 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 Sb(3)O6 pentagonal pyramid and corners with two equivalent Sb(2)O6 pentagonal pyramids. 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 pentagonal pyramid,  a cornercorner with one Sb(2)O6 pentagonal pyramid, corners with two equivalent Sb(3)O6 pentagonal pyramids, and  an edgeedge with one Sb(1)O6 pentagonal pyramid. 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 pentagonal pyramid,  a cornercorner with one Sb(2)O6 pentagonal pyramid, and  an edgeedge with one Sb(2)O6 pentagonal pyramid. There are twelve 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 3-coordinate geometry to one Sb(1), one Sb(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Sb(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Sb(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Sb(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Sb(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Fe(1), one Sb(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(4) atom. is represented by the CIF file [CIF]
data_FeSb3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.928
_cell_length_b   4.985
_cell_length_c   10.238
_cell_angle_alpha   87.174
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.170
_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  0.500  0.969  0.731  1.0
  Sb  Sb1  1  0.000  0.046  0.281  1.0
  Sb  Sb2  1  0.000  0.455  0.783  1.0
  Sb  Sb3  1  0.500  0.546  0.223  1.0
  P  P4  1  0.500  0.090  0.413  1.0
  P  P5  1  0.500  0.378  0.892  1.0
  P  P6  1  0.000  0.631  0.091  1.0
  P  P7  1  0.000  0.900  0.600  1.0
  O  O8  1  0.500  0.135  0.560  1.0
  O  O9  1  0.327  0.241  0.340  1.0
  O  O10  1  0.673  0.241  0.340  1.0
  O  O11  1  0.000  0.206  0.601  1.0
  O  O12  1  0.000  0.325  0.098  1.0
  O  O13  1  0.327  0.238  0.821  1.0
  O  O14  1  0.673  0.238  0.821  1.0
  O  O15  1  0.500  0.315  0.038  1.0
  O  O16  1  0.000  0.739  0.948  1.0
  O  O17  1  0.827  0.754  0.173  1.0
  O  O18  1  0.173  0.754  0.173  1.0
  O  O19  1  0.500  0.683  0.860  1.0
  O  O20  1  0.500  0.788  0.394  1.0
  O  O21  1  0.824  0.764  0.679  1.0
  O  O22  1  0.176  0.764  0.679  1.0
  O  O23  1  0.000  0.800  0.459  1.0
[/CIF]
.