The compound described by Ti4Fe2P3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one P(2) and four equivalent P(1) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to two equivalent Fe(1), one P(2), and four equivalent P(1) atoms. In the third Ti site, Ti(3) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(2) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent Ti(2), two equivalent P(1), and two equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Ti(3), two equivalent Ti(1), four equivalent Ti(2), and two equivalent Fe(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Ti4Fe2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.211
_cell_length_b   6.211
_cell_length_c   3.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.056
_symmetry_Int_Tables_number   1
_cell_volume   117.967
_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
  Ti  Ti0  1  0.409  0.409  0.500  1.0
  Ti  Ti1  1  0.578  0.993  0.500  1.0
  Ti  Ti2  1  0.993  0.578  0.500  1.0
  Ti  Ti3  1  0.758  0.758  0.000  1.0
  Fe  Fe4  1  0.250  0.003  0.000  1.0
  Fe  Fe5  1  0.003  0.250  0.000  1.0
  P  P6  1  0.321  0.664  0.000  1.0
  P  P7  1  0.664  0.321  0.000  1.0
  P  P8  1  0.023  0.023  0.500  1.0
[/CIF]
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The compound described by Ti4Fe2P3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one P(2) and four equivalent P(1) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to two equivalent Fe(1), one P(2), and four equivalent P(1) atoms. In the third Ti site, Ti(3) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(2) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent Ti(2), two equivalent P(1), and two equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Ti(3), two equivalent Ti(1), four equivalent Ti(2), and two equivalent Fe(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Ti4Fe2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.211
_cell_length_b   6.211
_cell_length_c   3.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.056
_symmetry_Int_Tables_number   1
_cell_volume   117.967
_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
  Ti  Ti0  1  0.409  0.409  0.500  1.0
  Ti  Ti1  1  0.578  0.993  0.500  1.0
  Ti  Ti2  1  0.993  0.578  0.500  1.0
  Ti  Ti3  1  0.758  0.758  0.000  1.0
  Fe  Fe4  1  0.250  0.003  0.000  1.0
  Fe  Fe5  1  0.003  0.250  0.000  1.0
  P  P6  1  0.321  0.664  0.000  1.0
  P  P7  1  0.664  0.321  0.000  1.0
  P  P8  1  0.023  0.023  0.500  1.0
[/CIF]
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