The crystal structure described by FeTe(PO4)2 crystallizes in the triclinic P-1 space group. Fe(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Te(1)O6 pentagonal pyramids. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Te(1)O6 pentagonal pyramid and  an edgeedge with one Te(1)O6 pentagonal pyramid. Te(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 pentagonal pyramids that share  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. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(2) and one Te(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one P(2), and one Te(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(1), one P(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_FeTe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.899
_cell_length_b   6.725
_cell_length_c   10.033
_cell_angle_alpha   89.778
_cell_angle_beta   82.846
_cell_angle_gamma   89.433
_symmetry_Int_Tables_number   1
_cell_volume   327.959
_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  0.963  0.258  0.735  1.0
  Fe  Fe1  1  0.037  0.743  0.265  1.0
  O  O2  1  0.734  0.753  0.936  1.0
  O  O3  1  0.266  0.247  0.064  1.0
  O  O4  1  0.688  0.249  0.898  1.0
  O  O5  1  0.312  0.752  0.102  1.0
  O  O6  1  0.204  0.751  0.626  1.0
  O  O7  1  0.796  0.249  0.374  1.0
  O  O8  1  0.128  0.249  0.546  1.0
  O  O9  1  0.872  0.751  0.454  1.0
  O  O10  1  0.256  0.066  0.839  1.0
  O  O11  1  0.251  0.428  0.839  1.0
  O  O12  1  0.749  0.572  0.161  1.0
  O  O13  1  0.744  0.934  0.161  1.0
  O  O14  1  0.726  0.926  0.680  1.0
  O  O15  1  0.733  0.572  0.681  1.0
  O  O16  1  0.274  0.073  0.320  1.0
  O  O17  1  0.267  0.428  0.319  1.0
  P  P18  1  0.374  0.249  0.910  1.0
  P  P19  1  0.626  0.751  0.090  1.0
  P  P20  1  0.901  0.749  0.602  1.0
  P  P21  1  0.099  0.251  0.398  1.0
  Te  Te22  1  0.437  0.754  0.798  1.0
  Te  Te23  1  0.563  0.246  0.202  1.0
[/CIF]
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The crystal structure described by FeTe(PO4)2 crystallizes in the triclinic P-1 space group. Fe(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Te(1)O6 pentagonal pyramids. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Te(1)O6 pentagonal pyramid and  an edgeedge with one Te(1)O6 pentagonal pyramid. Te(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 pentagonal pyramids that share  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. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(2) and one Te(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one P(2), and one Te(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(1), one P(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_FeTe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.899
_cell_length_b   6.725
_cell_length_c   10.033
_cell_angle_alpha   89.778
_cell_angle_beta   82.846
_cell_angle_gamma   89.433
_symmetry_Int_Tables_number   1
_cell_volume   327.959
_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  0.963  0.258  0.735  1.0
  Fe  Fe1  1  0.037  0.743  0.265  1.0
  O  O2  1  0.734  0.753  0.936  1.0
  O  O3  1  0.266  0.247  0.064  1.0
  O  O4  1  0.688  0.249  0.898  1.0
  O  O5  1  0.312  0.752  0.102  1.0
  O  O6  1  0.204  0.751  0.626  1.0
  O  O7  1  0.796  0.249  0.374  1.0
  O  O8  1  0.128  0.249  0.546  1.0
  O  O9  1  0.872  0.751  0.454  1.0
  O  O10  1  0.256  0.066  0.839  1.0
  O  O11  1  0.251  0.428  0.839  1.0
  O  O12  1  0.749  0.572  0.161  1.0
  O  O13  1  0.744  0.934  0.161  1.0
  O  O14  1  0.726  0.926  0.680  1.0
  O  O15  1  0.733  0.572  0.681  1.0
  O  O16  1  0.274  0.073  0.320  1.0
  O  O17  1  0.267  0.428  0.319  1.0
  P  P18  1  0.374  0.249  0.910  1.0
  P  P19  1  0.626  0.751  0.090  1.0
  P  P20  1  0.901  0.749  0.602  1.0
  P  P21  1  0.099  0.251  0.398  1.0
  Te  Te22  1  0.437  0.754  0.798  1.0
  Te  Te23  1  0.563  0.246  0.202  1.0
[/CIF]
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