The crystal structure described by Tb4Cu5P7 crystallizes in the tetragonal I4mm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(3) atoms. In the second Tb site, Tb(2) is bonded to four equivalent Cu(1), four equivalent P(1), and four equivalent P(3) atoms to form distorted corner-sharing TbCu4P8 cuboctahedra. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to two equivalent Cu(2), two equivalent P(2), and four equivalent P(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Tb(2), one Cu(2), one P(2), and two equivalent P(3) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to four equivalent Tb(3) and four equivalent Cu(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Tb(1), one Tb(2), two equivalent Tb(3), and two equivalent P(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Tb(3) and four equivalent Cu(1) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb4Cu5P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.393
_cell_length_b   10.393
_cell_length_c   10.393
_cell_angle_alpha   150.195
_cell_angle_beta   150.195
_cell_angle_gamma   42.655
_symmetry_Int_Tables_number   1
_cell_volume   276.614
_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
  Tb  Tb0  1  0.887  0.887  0.000  1.0
  Tb  Tb1  1  0.382  0.382  0.000  1.0
  Tb  Tb2  1  0.114  0.614  0.500  1.0
  Tb  Tb3  1  0.614  0.114  0.500  1.0
  Cu  Cu4  1  0.004  0.004  0.505  1.0
  Cu  Cu5  1  0.500  0.500  0.495  1.0
  Cu  Cu6  1  0.500  0.004  0.000  1.0
  Cu  Cu7  1  0.004  0.500  0.000  1.0
  Cu  Cu8  1  0.671  0.671  0.000  1.0
  P  P9  1  0.278  0.278  0.556  1.0
  P  P10  1  0.722  0.722  0.444  1.0
  P  P11  1  0.722  0.278  0.000  1.0
  P  P12  1  0.278  0.722  0.000  1.0
  P  P13  1  0.173  0.173  0.000  1.0
  P  P14  1  0.326  0.826  0.500  1.0
  P  P15  1  0.826  0.326  0.500  1.0
[/CIF]
.
The crystal structure described by Tb4Cu5P7 crystallizes in the tetragonal I4mm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(3) atoms. In the second Tb site, Tb(2) is bonded to four equivalent Cu(1), four equivalent P(1), and four equivalent P(3) atoms to form distorted corner-sharing TbCu4P8 cuboctahedra. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to two equivalent Cu(2), two equivalent P(2), and four equivalent P(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Tb(2), one Cu(2), one P(2), and two equivalent P(3) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to four equivalent Tb(3) and four equivalent Cu(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Tb(1), one Tb(2), two equivalent Tb(3), and two equivalent P(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Tb(3) and four equivalent Cu(1) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb4Cu5P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.393
_cell_length_b   10.393
_cell_length_c   10.393
_cell_angle_alpha   150.195
_cell_angle_beta   150.195
_cell_angle_gamma   42.655
_symmetry_Int_Tables_number   1
_cell_volume   276.614
_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
  Tb  Tb0  1  0.887  0.887  0.000  1.0
  Tb  Tb1  1  0.382  0.382  0.000  1.0
  Tb  Tb2  1  0.114  0.614  0.500  1.0
  Tb  Tb3  1  0.614  0.114  0.500  1.0
  Cu  Cu4  1  0.004  0.004  0.505  1.0
  Cu  Cu5  1  0.500  0.500  0.495  1.0
  Cu  Cu6  1  0.500  0.004  0.000  1.0
  Cu  Cu7  1  0.004  0.500  0.000  1.0
  Cu  Cu8  1  0.671  0.671  0.000  1.0
  P  P9  1  0.278  0.278  0.556  1.0
  P  P10  1  0.722  0.722  0.444  1.0
  P  P11  1  0.722  0.278  0.000  1.0
  P  P12  1  0.278  0.722  0.000  1.0
  P  P13  1  0.173  0.173  0.000  1.0
  P  P14  1  0.326  0.826  0.500  1.0
  P  P15  1  0.826  0.326  0.500  1.0
[/CIF]
.