The crystal structure described by Ta4FeP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. Ta(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent P(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to eight equivalent Ta(1) and two equivalent Fe(1) atoms. P(1) is bonded in a 10-coordinate geometry to eight equivalent Ta(1) and two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta4FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.108
_cell_length_c   5.096
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.084
_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
  Ta  Ta0  1  0.330  0.157  0.500  1.0
  Ta  Ta1  1  0.670  0.843  0.500  1.0
  Ta  Ta2  1  0.157  0.670  0.500  1.0
  Ta  Ta3  1  0.843  0.330  0.500  1.0
  Ta  Ta4  1  0.330  0.843  0.000  1.0
  Ta  Ta5  1  0.843  0.670  0.000  1.0
  Ta  Ta6  1  0.157  0.330  0.000  1.0
  Ta  Ta7  1  0.670  0.157  0.000  1.0
  Fe  Fe8  1  0.000  0.000  0.750  1.0
  Fe  Fe9  1  0.000  0.000  0.250  1.0
  P  P10  1  0.500  0.500  0.750  1.0
  P  P11  1  0.500  0.500  0.250  1.0
[/CIF]
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The crystal structure described by Ta4FeP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. Ta(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent P(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to eight equivalent Ta(1) and two equivalent Fe(1) atoms. P(1) is bonded in a 10-coordinate geometry to eight equivalent Ta(1) and two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta4FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.108
_cell_length_c   5.096
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.084
_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
  Ta  Ta0  1  0.330  0.157  0.500  1.0
  Ta  Ta1  1  0.670  0.843  0.500  1.0
  Ta  Ta2  1  0.157  0.670  0.500  1.0
  Ta  Ta3  1  0.843  0.330  0.500  1.0
  Ta  Ta4  1  0.330  0.843  0.000  1.0
  Ta  Ta5  1  0.843  0.670  0.000  1.0
  Ta  Ta6  1  0.157  0.330  0.000  1.0
  Ta  Ta7  1  0.670  0.157  0.000  1.0
  Fe  Fe8  1  0.000  0.000  0.750  1.0
  Fe  Fe9  1  0.000  0.000  0.250  1.0
  P  P10  1  0.500  0.500  0.750  1.0
  P  P11  1  0.500  0.500  0.250  1.0
[/CIF]
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