The crystal structure described by Ti2FeB6(Os2Rh)3 crystallizes in the orthorhombic Amm2 space group. Ti(1) is bonded in a 12-coordinate geometry to two equivalent Os(1), two equivalent Os(3), four equivalent Os(2), two equivalent B(1), and two equivalent B(3) atoms. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1), two equivalent Rh(1), one B(2), and two equivalent B(1) atoms. In the second Os site, Os(2) is bonded in a 2-coordinate geometry to four equivalent Ti(1), two equivalent Rh(1), one B(3), and two equivalent B(1) atoms. In the third Os site, Os(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1), two equivalent Rh(2), one B(3), and two equivalent B(1) atoms. Fe(1) is bonded in a distorted L-shaped geometry to two equivalent B(1) and two equivalent B(2) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 10-coordinate geometry to four equivalent Os(3), two equivalent B(4), and four equivalent B(3) atoms. In the second Rh site, Rh(1) is bonded in a 10-coordinate geometry to two equivalent Os(1), two equivalent Os(2), two equivalent B(2), two equivalent B(3), and two equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Os(1), two equivalent Os(2), two equivalent Os(3), and one Fe(1) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Os(1), two equivalent Fe(1), four equivalent Rh(1), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), one Os(2), one Os(3), two equivalent Rh(1), two equivalent Rh(2), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Rh(2), four equivalent Rh(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Ti2FeB6(Os2Rh)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.854
_cell_length_b   8.854
_cell_length_c   3.061
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.669
_symmetry_Int_Tables_number   1
_cell_volume   206.389
_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
  Ti  Ti0  1  0.998  0.585  0.000  1.0
  Ti  Ti1  1  0.585  0.998  0.000  1.0
  Fe  Fe2  1  0.402  0.402  0.000  1.0
  B  B3  1  0.333  0.667  0.000  1.0
  B  B4  1  0.667  0.333  0.000  1.0
  B  B5  1  0.240  0.240  0.500  1.0
  B  B6  1  0.997  0.787  0.500  1.0
  B  B7  1  0.787  0.997  0.500  1.0
  B  B8  1  0.003  0.003  0.500  1.0
  Os  Os9  1  0.185  0.466  0.500  1.0
  Os  Os10  1  0.285  0.819  0.500  1.0
  Os  Os11  1  0.531  0.709  0.500  1.0
  Os  Os12  1  0.466  0.185  0.500  1.0
  Os  Os13  1  0.819  0.285  0.500  1.0
  Os  Os14  1  0.709  0.531  0.500  1.0
  Rh  Rh15  1  0.997  0.172  0.000  1.0
  Rh  Rh16  1  0.172  0.997  0.000  1.0
  Rh  Rh17  1  0.822  0.822  0.000  1.0
[/CIF]
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The crystal structure described by Ti2FeB6(Os2Rh)3 crystallizes in the orthorhombic Amm2 space group. Ti(1) is bonded in a 12-coordinate geometry to two equivalent Os(1), two equivalent Os(3), four equivalent Os(2), two equivalent B(1), and two equivalent B(3) atoms. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1), two equivalent Rh(1), one B(2), and two equivalent B(1) atoms. In the second Os site, Os(2) is bonded in a 2-coordinate geometry to four equivalent Ti(1), two equivalent Rh(1), one B(3), and two equivalent B(1) atoms. In the third Os site, Os(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1), two equivalent Rh(2), one B(3), and two equivalent B(1) atoms. Fe(1) is bonded in a distorted L-shaped geometry to two equivalent B(1) and two equivalent B(2) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 10-coordinate geometry to four equivalent Os(3), two equivalent B(4), and four equivalent B(3) atoms. In the second Rh site, Rh(1) is bonded in a 10-coordinate geometry to two equivalent Os(1), two equivalent Os(2), two equivalent B(2), two equivalent B(3), and two equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Os(1), two equivalent Os(2), two equivalent Os(3), and one Fe(1) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Os(1), two equivalent Fe(1), four equivalent Rh(1), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), one Os(2), one Os(3), two equivalent Rh(1), two equivalent Rh(2), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Rh(2), four equivalent Rh(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Ti2FeB6(Os2Rh)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.854
_cell_length_b   8.854
_cell_length_c   3.061
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.669
_symmetry_Int_Tables_number   1
_cell_volume   206.389
_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
  Ti  Ti0  1  0.998  0.585  0.000  1.0
  Ti  Ti1  1  0.585  0.998  0.000  1.0
  Fe  Fe2  1  0.402  0.402  0.000  1.0
  B  B3  1  0.333  0.667  0.000  1.0
  B  B4  1  0.667  0.333  0.000  1.0
  B  B5  1  0.240  0.240  0.500  1.0
  B  B6  1  0.997  0.787  0.500  1.0
  B  B7  1  0.787  0.997  0.500  1.0
  B  B8  1  0.003  0.003  0.500  1.0
  Os  Os9  1  0.185  0.466  0.500  1.0
  Os  Os10  1  0.285  0.819  0.500  1.0
  Os  Os11  1  0.531  0.709  0.500  1.0
  Os  Os12  1  0.466  0.185  0.500  1.0
  Os  Os13  1  0.819  0.285  0.500  1.0
  Os  Os14  1  0.709  0.531  0.500  1.0
  Rh  Rh15  1  0.997  0.172  0.000  1.0
  Rh  Rh16  1  0.172  0.997  0.000  1.0
  Rh  Rh17  1  0.822  0.822  0.000  1.0
[/CIF]
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