The material described by Tb2Co7B3 crystallizes in the hexagonal P6/mmm space group. There are three 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 20-coordinate geometry to two equivalent Tb(3), twelve equivalent Co(3), and six equivalent B(1) atoms. In the third Tb site, Tb(3) is bonded in a 18-coordinate geometry to one Tb(2), six equivalent Co(2), six equivalent Co(3), and six equivalent B(2) 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(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Tb(3), two equivalent Co(1), and two equivalent B(2) atoms. In the third Co site, Co(3) is bonded in a distorted square co-planar geometry to two equivalent Tb(2), two equivalent Tb(3), two equivalent B(1), and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Tb(2) and six equivalent Co(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Tb(3), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2Co7B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   5.037
_cell_length_c   12.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   279.753
_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
  Tb  Tb0  1  1.000  0.000  0.000  1.0
  Tb  Tb1  1  1.000  0.000  0.500  1.0
  Tb  Tb2  1  1.000  0.000  0.261  1.0
  Tb  Tb3  1  0.000  0.000  0.739  1.0
  Co  Co4  1  0.333  0.667  1.000  1.0
  Co  Co5  1  0.667  0.333  1.000  1.0
  Co  Co6  1  0.500  0.000  0.155  1.0
  Co  Co7  1  0.500  0.500  0.155  1.0
  Co  Co8  1  1.000  0.500  0.155  1.0
  Co  Co9  1  0.500  0.000  0.845  1.0
  Co  Co10  1  0.500  0.500  0.845  1.0
  Co  Co11  1  0.000  0.500  0.845  1.0
  Co  Co12  1  0.500  0.000  0.384  1.0
  Co  Co13  1  0.500  0.500  0.384  1.0
  Co  Co14  1  1.000  0.500  0.384  1.0
  Co  Co15  1  0.500  0.000  0.616  1.0
  Co  Co16  1  0.500  0.500  0.616  1.0
  Co  Co17  1  1.000  0.500  0.616  1.0
  B  B18  1  0.333  0.667  0.500  1.0
  B  B19  1  0.667  0.333  0.500  1.0
  B  B20  1  0.333  0.667  0.268  1.0
  B  B21  1  0.667  0.333  0.268  1.0
  B  B22  1  0.667  0.333  0.732  1.0
  B  B23  1  0.333  0.667  0.732  1.0
[/CIF]
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The material described by Tb2Co7B3 crystallizes in the hexagonal P6/mmm space group. There are three 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 20-coordinate geometry to two equivalent Tb(3), twelve equivalent Co(3), and six equivalent B(1) atoms. In the third Tb site, Tb(3) is bonded in a 18-coordinate geometry to one Tb(2), six equivalent Co(2), six equivalent Co(3), and six equivalent B(2) 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(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Tb(3), two equivalent Co(1), and two equivalent B(2) atoms. In the third Co site, Co(3) is bonded in a distorted square co-planar geometry to two equivalent Tb(2), two equivalent Tb(3), two equivalent B(1), and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Tb(2) and six equivalent Co(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Tb(3), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2Co7B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   5.037
_cell_length_c   12.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   279.753
_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
  Tb  Tb0  1  1.000  0.000  0.000  1.0
  Tb  Tb1  1  1.000  0.000  0.500  1.0
  Tb  Tb2  1  1.000  0.000  0.261  1.0
  Tb  Tb3  1  0.000  0.000  0.739  1.0
  Co  Co4  1  0.333  0.667  1.000  1.0
  Co  Co5  1  0.667  0.333  1.000  1.0
  Co  Co6  1  0.500  0.000  0.155  1.0
  Co  Co7  1  0.500  0.500  0.155  1.0
  Co  Co8  1  1.000  0.500  0.155  1.0
  Co  Co9  1  0.500  0.000  0.845  1.0
  Co  Co10  1  0.500  0.500  0.845  1.0
  Co  Co11  1  0.000  0.500  0.845  1.0
  Co  Co12  1  0.500  0.000  0.384  1.0
  Co  Co13  1  0.500  0.500  0.384  1.0
  Co  Co14  1  1.000  0.500  0.384  1.0
  Co  Co15  1  0.500  0.000  0.616  1.0
  Co  Co16  1  0.500  0.500  0.616  1.0
  Co  Co17  1  1.000  0.500  0.616  1.0
  B  B18  1  0.333  0.667  0.500  1.0
  B  B19  1  0.667  0.333  0.500  1.0
  B  B20  1  0.333  0.667  0.268  1.0
  B  B21  1  0.667  0.333  0.268  1.0
  B  B22  1  0.667  0.333  0.732  1.0
  B  B23  1  0.333  0.667  0.732  1.0
[/CIF]
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