The compound described by Tm2Co7B3 crystallizes in the hexagonal P6/mmm space group. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second Tm site, Tm(2) is bonded in a 20-coordinate geometry to two equivalent Tm(3), twelve equivalent Co(3), and six equivalent B(1) atoms. In the third Tm site, Tm(3) is bonded in a 18-coordinate geometry to one Tm(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 Tm(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 Tm(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 Tm(2), two equivalent Tm(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 Tm(2) and six equivalent Co(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Tm(3), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2Co7B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.996
_cell_length_b   4.996
_cell_length_c   12.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   277.513
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.000  0.000  0.500  1.0
  Tm  Tm2  1  0.000  0.000  0.739  1.0
  Tm  Tm3  1  0.000  0.000  0.261  1.0
  Co  Co4  1  0.667  0.333  0.000  1.0
  Co  Co5  1  0.333  0.667  0.000  1.0
  Co  Co6  1  0.500  0.500  0.846  1.0
  Co  Co7  1  0.500  0.000  0.846  1.0
  Co  Co8  1  0.000  0.500  0.846  1.0
  Co  Co9  1  0.500  0.500  0.154  1.0
  Co  Co10  1  0.500  0.000  0.154  1.0
  Co  Co11  1  0.000  0.500  0.154  1.0
  Co  Co12  1  0.500  0.500  0.615  1.0
  Co  Co13  1  0.500  0.000  0.615  1.0
  Co  Co14  1  0.000  0.500  0.615  1.0
  Co  Co15  1  0.500  0.500  0.385  1.0
  Co  Co16  1  0.500  0.000  0.385  1.0
  Co  Co17  1  0.000  0.500  0.385  1.0
  B  B18  1  0.667  0.333  0.500  1.0
  B  B19  1  0.333  0.667  0.500  1.0
  B  B20  1  0.667  0.333  0.732  1.0
  B  B21  1  0.333  0.667  0.732  1.0
  B  B22  1  0.333  0.667  0.268  1.0
  B  B23  1  0.667  0.333  0.268  1.0
[/CIF]
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The compound described by Tm2Co7B3 crystallizes in the hexagonal P6/mmm space group. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second Tm site, Tm(2) is bonded in a 20-coordinate geometry to two equivalent Tm(3), twelve equivalent Co(3), and six equivalent B(1) atoms. In the third Tm site, Tm(3) is bonded in a 18-coordinate geometry to one Tm(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 Tm(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 Tm(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 Tm(2), two equivalent Tm(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 Tm(2) and six equivalent Co(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Tm(3), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2Co7B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.996
_cell_length_b   4.996
_cell_length_c   12.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   277.513
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.000  0.000  0.500  1.0
  Tm  Tm2  1  0.000  0.000  0.739  1.0
  Tm  Tm3  1  0.000  0.000  0.261  1.0
  Co  Co4  1  0.667  0.333  0.000  1.0
  Co  Co5  1  0.333  0.667  0.000  1.0
  Co  Co6  1  0.500  0.500  0.846  1.0
  Co  Co7  1  0.500  0.000  0.846  1.0
  Co  Co8  1  0.000  0.500  0.846  1.0
  Co  Co9  1  0.500  0.500  0.154  1.0
  Co  Co10  1  0.500  0.000  0.154  1.0
  Co  Co11  1  0.000  0.500  0.154  1.0
  Co  Co12  1  0.500  0.500  0.615  1.0
  Co  Co13  1  0.500  0.000  0.615  1.0
  Co  Co14  1  0.000  0.500  0.615  1.0
  Co  Co15  1  0.500  0.500  0.385  1.0
  Co  Co16  1  0.500  0.000  0.385  1.0
  Co  Co17  1  0.000  0.500  0.385  1.0
  B  B18  1  0.667  0.333  0.500  1.0
  B  B19  1  0.333  0.667  0.500  1.0
  B  B20  1  0.667  0.333  0.732  1.0
  B  B21  1  0.333  0.667  0.732  1.0
  B  B22  1  0.333  0.667  0.268  1.0
  B  B23  1  0.667  0.333  0.268  1.0
[/CIF]
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