The material described by Ti2FeRh5B2 crystallizes in the tetragonal P4/mbm space group. Ti(1) is bonded in a 13-coordinate geometry to two equivalent Rh(2), eight equivalent Rh(1), and three equivalent B(1) atoms. Fe(1) is bonded in a body-centered cubic geometry to eight equivalent Rh(1) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1), two equivalent Fe(1), and two equivalent B(1) atoms. In the second Rh site, Rh(2) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Ti(1), two equivalent Rh(2), and four equivalent Rh(1) atoms. is represented by the CIF file [CIF]
data_Ti2FeB2Rh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.087
_cell_length_b   9.087
_cell_length_c   3.111
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.860
_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
  Ti  Ti0  1  0.676  0.176  0.000  1.0
  Ti  Ti1  1  0.324  0.824  0.000  1.0
  Ti  Ti2  1  0.176  0.324  0.000  1.0
  Ti  Ti3  1  0.824  0.676  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.125  0.625  0.000  1.0
  B  B7  1  0.875  0.375  0.000  1.0
  B  B8  1  0.625  0.875  0.000  1.0
  B  B9  1  0.375  0.125  0.000  1.0
  Rh  Rh10  1  0.573  0.714  0.500  1.0
  Rh  Rh11  1  0.427  0.286  0.500  1.0
  Rh  Rh12  1  0.073  0.786  0.500  1.0
  Rh  Rh13  1  0.927  0.214  0.500  1.0
  Rh  Rh14  1  0.286  0.573  0.500  1.0
  Rh  Rh15  1  0.714  0.427  0.500  1.0
  Rh  Rh16  1  0.214  0.073  0.500  1.0
  Rh  Rh17  1  0.786  0.927  0.500  1.0
  Rh  Rh18  1  0.500  0.000  0.500  1.0
  Rh  Rh19  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by Ti2FeRh5B2 crystallizes in the tetragonal P4/mbm space group. Ti(1) is bonded in a 13-coordinate geometry to two equivalent Rh(2), eight equivalent Rh(1), and three equivalent B(1) atoms. Fe(1) is bonded in a body-centered cubic geometry to eight equivalent Rh(1) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1), two equivalent Fe(1), and two equivalent B(1) atoms. In the second Rh site, Rh(2) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Ti(1), two equivalent Rh(2), and four equivalent Rh(1) atoms. is represented by the CIF file [CIF]
data_Ti2FeB2Rh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.087
_cell_length_b   9.087
_cell_length_c   3.111
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.860
_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
  Ti  Ti0  1  0.676  0.176  0.000  1.0
  Ti  Ti1  1  0.324  0.824  0.000  1.0
  Ti  Ti2  1  0.176  0.324  0.000  1.0
  Ti  Ti3  1  0.824  0.676  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.125  0.625  0.000  1.0
  B  B7  1  0.875  0.375  0.000  1.0
  B  B8  1  0.625  0.875  0.000  1.0
  B  B9  1  0.375  0.125  0.000  1.0
  Rh  Rh10  1  0.573  0.714  0.500  1.0
  Rh  Rh11  1  0.427  0.286  0.500  1.0
  Rh  Rh12  1  0.073  0.786  0.500  1.0
  Rh  Rh13  1  0.927  0.214  0.500  1.0
  Rh  Rh14  1  0.286  0.573  0.500  1.0
  Rh  Rh15  1  0.714  0.427  0.500  1.0
  Rh  Rh16  1  0.214  0.073  0.500  1.0
  Rh  Rh17  1  0.786  0.927  0.500  1.0
  Rh  Rh18  1  0.500  0.000  0.500  1.0
  Rh  Rh19  1  0.000  0.500  0.500  1.0
[/CIF]
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