The crystal structure described by Tb3Co11B4 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second Tb site, Tb(2) is bonded in a 18-coordinate geometry to six equivalent Co(2), six equivalent Co(3), and six equivalent B(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Tb(1) and six equivalent Co(3) atoms. In the second Co site, Co(2) is bonded in a distorted square co-planar geometry to four equivalent Tb(2) and four equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Tb(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Tb(2), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the CIF card [CIF]
data_Tb3Co11B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   5.037
_cell_length_c   9.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   214.492
_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  1.000  0.000  0.000  1.0
  Tb  Tb1  1  1.000  0.000  0.342  1.0
  Tb  Tb2  1  0.000  0.000  0.658  1.0
  Co  Co3  1  0.333  0.667  0.000  1.0
  Co  Co4  1  0.667  0.333  0.000  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  Co  Co8  1  0.500  0.000  0.201  1.0
  Co  Co9  1  0.500  0.500  0.202  1.0
  Co  Co10  1  1.000  0.500  0.202  1.0
  Co  Co11  1  0.500  0.000  0.799  1.0
  Co  Co12  1  0.500  0.500  0.798  1.0
  Co  Co13  1  0.000  0.500  0.798  1.0
  B  B14  1  0.333  0.667  0.349  1.0
  B  B15  1  0.667  0.333  0.349  1.0
  B  B16  1  0.667  0.333  0.651  1.0
  B  B17  1  0.333  0.667  0.651  1.0
[/CIF]
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The crystal structure described by Tb3Co11B4 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second Tb site, Tb(2) is bonded in a 18-coordinate geometry to six equivalent Co(2), six equivalent Co(3), and six equivalent B(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Tb(1) and six equivalent Co(3) atoms. In the second Co site, Co(2) is bonded in a distorted square co-planar geometry to four equivalent Tb(2) and four equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Tb(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Tb(2), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the CIF card [CIF]
data_Tb3Co11B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   5.037
_cell_length_c   9.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   214.492
_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  1.000  0.000  0.000  1.0
  Tb  Tb1  1  1.000  0.000  0.342  1.0
  Tb  Tb2  1  0.000  0.000  0.658  1.0
  Co  Co3  1  0.333  0.667  0.000  1.0
  Co  Co4  1  0.667  0.333  0.000  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  Co  Co8  1  0.500  0.000  0.201  1.0
  Co  Co9  1  0.500  0.500  0.202  1.0
  Co  Co10  1  1.000  0.500  0.202  1.0
  Co  Co11  1  0.500  0.000  0.799  1.0
  Co  Co12  1  0.500  0.500  0.798  1.0
  Co  Co13  1  0.000  0.500  0.798  1.0
  B  B14  1  0.333  0.667  0.349  1.0
  B  B15  1  0.667  0.333  0.349  1.0
  B  B16  1  0.667  0.333  0.651  1.0
  B  B17  1  0.333  0.667  0.651  1.0
[/CIF]
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