The crystal structure described by Tb3FeB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 11-coordinate geometry to two equivalent B(1), two equivalent B(3), three equivalent B(2), and four equivalent B(4) atoms. In the second Tb site, Tb(2) is bonded in a 10-coordinate geometry to four equivalent B(3) and six equivalent B(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to four equivalent Tb(1), two equivalent Fe(1), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), one B(3), and two equivalent B(2) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), two equivalent Fe(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Tb(1), two equivalent Fe(1), one B(1), one B(3), and one B(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3FeB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.072
_cell_length_b   8.072
_cell_length_c   9.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   155.525
_symmetry_Int_Tables_number   1
_cell_volume   252.055
_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  0.896  0.104  0.060  1.0
  Tb  Tb1  1  0.104  0.896  0.560  1.0
  Tb  Tb2  1  0.104  0.896  0.940  1.0
  Tb  Tb3  1  0.896  0.104  0.440  1.0
  Tb  Tb4  1  0.243  0.757  0.250  1.0
  Tb  Tb5  1  0.757  0.243  0.750  1.0
  Fe  Fe6  1  0.055  0.945  0.250  1.0
  Fe  Fe7  1  0.945  0.055  0.750  1.0
  B  B8  1  0.461  0.539  0.250  1.0
  B  B9  1  0.539  0.461  0.750  1.0
  B  B10  1  0.727  0.273  0.032  1.0
  B  B11  1  0.273  0.727  0.532  1.0
  B  B12  1  0.273  0.727  0.968  1.0
  B  B13  1  0.727  0.273  0.468  1.0
  B  B14  1  0.630  0.370  0.346  1.0
  B  B15  1  0.370  0.630  0.846  1.0
  B  B16  1  0.370  0.630  0.654  1.0
  B  B17  1  0.630  0.370  0.154  1.0
  B  B18  1  0.522  0.478  0.400  1.0
  B  B19  1  0.478  0.522  0.900  1.0
  B  B20  1  0.478  0.522  0.600  1.0
  B  B21  1  0.522  0.478  0.100  1.0
[/CIF]
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The crystal structure described by Tb3FeB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 11-coordinate geometry to two equivalent B(1), two equivalent B(3), three equivalent B(2), and four equivalent B(4) atoms. In the second Tb site, Tb(2) is bonded in a 10-coordinate geometry to four equivalent B(3) and six equivalent B(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to four equivalent Tb(1), two equivalent Fe(1), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), one B(3), and two equivalent B(2) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), two equivalent Fe(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Tb(1), two equivalent Fe(1), one B(1), one B(3), and one B(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3FeB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.072
_cell_length_b   8.072
_cell_length_c   9.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   155.525
_symmetry_Int_Tables_number   1
_cell_volume   252.055
_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  0.896  0.104  0.060  1.0
  Tb  Tb1  1  0.104  0.896  0.560  1.0
  Tb  Tb2  1  0.104  0.896  0.940  1.0
  Tb  Tb3  1  0.896  0.104  0.440  1.0
  Tb  Tb4  1  0.243  0.757  0.250  1.0
  Tb  Tb5  1  0.757  0.243  0.750  1.0
  Fe  Fe6  1  0.055  0.945  0.250  1.0
  Fe  Fe7  1  0.945  0.055  0.750  1.0
  B  B8  1  0.461  0.539  0.250  1.0
  B  B9  1  0.539  0.461  0.750  1.0
  B  B10  1  0.727  0.273  0.032  1.0
  B  B11  1  0.273  0.727  0.532  1.0
  B  B12  1  0.273  0.727  0.968  1.0
  B  B13  1  0.727  0.273  0.468  1.0
  B  B14  1  0.630  0.370  0.346  1.0
  B  B15  1  0.370  0.630  0.846  1.0
  B  B16  1  0.370  0.630  0.654  1.0
  B  B17  1  0.630  0.370  0.154  1.0
  B  B18  1  0.522  0.478  0.400  1.0
  B  B19  1  0.478  0.522  0.900  1.0
  B  B20  1  0.478  0.522  0.600  1.0
  B  B21  1  0.522  0.478  0.100  1.0
[/CIF]
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