The compound described by TaOs3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to twelve Os(1,1,1) atoms to form TaOs12 cuboctahedra that share corners with six equivalent Ta(1)Os12 cuboctahedra; corners with twelve Os(1,1)Ta4Os8 cuboctahedra; edges with eighteen Os(1,1,1)Ta4Os8 cuboctahedra; faces with eight equivalent Ta(1)Os12 cuboctahedra; and faces with twelve Os(1,1,1)Ta4Os8 cuboctahedra. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded to four equivalent Ta(1) and eight Os(1,1,1) atoms to form distorted OsTa4Os8 cuboctahedra that share corners with four equivalent Ta(1)Os12 cuboctahedra; corners with fourteen Os(1,1)Ta4Os8 cuboctahedra; edges with six equivalent Ta(1)Os12 cuboctahedra; edges with twelve Os(1,1,1)Ta4Os8 cuboctahedra; faces with four equivalent Ta(1)Os12 cuboctahedra; and faces with sixteen Os(1,1,1)Ta4Os8 cuboctahedra. In the second Os site, Os(1) is bonded to four equivalent Ta(1) and eight equivalent Os(1) atoms to form distorted OsTa4Os8 cuboctahedra that share corners with four equivalent Ta(1)Os12 cuboctahedra; corners with fourteen Os(1,1)Ta4Os8 cuboctahedra; edges with six equivalent Ta(1)Os12 cuboctahedra; edges with twelve equivalent Os(1)Ta4Os8 cuboctahedra; faces with four equivalent Ta(1)Os12 cuboctahedra; and faces with sixteen Os(1,1,1)Ta4Os8 cuboctahedra. In the third Os site, Os(1) is bonded to four equivalent Ta(1) and eight equivalent Os(1) atoms to form distorted OsTa4Os8 cuboctahedra that share corners with four equivalent Ta(1)Os12 cuboctahedra; corners with fourteen Os(1,1)Ta4Os8 cuboctahedra; edges with six equivalent Ta(1)Os12 cuboctahedra; edges with twelve equivalent Os(1)Ta4Os8 cuboctahedra; faces with four equivalent Ta(1)Os12 cuboctahedra; and faces with sixteen Os(1,1,1)Ta4Os8 cuboctahedra. is represented by the CIF card [CIF]
data_TaOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.581
_cell_length_b   5.581
_cell_length_c   4.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.936
_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
  Ta  Ta0  1  0.333  0.667  0.750  1.0
  Ta  Ta1  1  0.667  0.333  0.250  1.0
  Os  Os2  1  0.165  0.331  0.250  1.0
  Os  Os3  1  0.669  0.835  0.250  1.0
  Os  Os4  1  0.165  0.835  0.250  1.0
  Os  Os5  1  0.835  0.669  0.750  1.0
  Os  Os6  1  0.331  0.165  0.750  1.0
  Os  Os7  1  0.835  0.165  0.750  1.0
[/CIF]
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The compound described by TaOs3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to twelve Os(1,1,1) atoms to form TaOs12 cuboctahedra that share corners with six equivalent Ta(1)Os12 cuboctahedra; corners with twelve Os(1,1)Ta4Os8 cuboctahedra; edges with eighteen Os(1,1,1)Ta4Os8 cuboctahedra; faces with eight equivalent Ta(1)Os12 cuboctahedra; and faces with twelve Os(1,1,1)Ta4Os8 cuboctahedra. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded to four equivalent Ta(1) and eight Os(1,1,1) atoms to form distorted OsTa4Os8 cuboctahedra that share corners with four equivalent Ta(1)Os12 cuboctahedra; corners with fourteen Os(1,1)Ta4Os8 cuboctahedra; edges with six equivalent Ta(1)Os12 cuboctahedra; edges with twelve Os(1,1,1)Ta4Os8 cuboctahedra; faces with four equivalent Ta(1)Os12 cuboctahedra; and faces with sixteen Os(1,1,1)Ta4Os8 cuboctahedra. In the second Os site, Os(1) is bonded to four equivalent Ta(1) and eight equivalent Os(1) atoms to form distorted OsTa4Os8 cuboctahedra that share corners with four equivalent Ta(1)Os12 cuboctahedra; corners with fourteen Os(1,1)Ta4Os8 cuboctahedra; edges with six equivalent Ta(1)Os12 cuboctahedra; edges with twelve equivalent Os(1)Ta4Os8 cuboctahedra; faces with four equivalent Ta(1)Os12 cuboctahedra; and faces with sixteen Os(1,1,1)Ta4Os8 cuboctahedra. In the third Os site, Os(1) is bonded to four equivalent Ta(1) and eight equivalent Os(1) atoms to form distorted OsTa4Os8 cuboctahedra that share corners with four equivalent Ta(1)Os12 cuboctahedra; corners with fourteen Os(1,1)Ta4Os8 cuboctahedra; edges with six equivalent Ta(1)Os12 cuboctahedra; edges with twelve equivalent Os(1)Ta4Os8 cuboctahedra; faces with four equivalent Ta(1)Os12 cuboctahedra; and faces with sixteen Os(1,1,1)Ta4Os8 cuboctahedra. is represented by the CIF card [CIF]
data_TaOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.581
_cell_length_b   5.581
_cell_length_c   4.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.936
_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
  Ta  Ta0  1  0.333  0.667  0.750  1.0
  Ta  Ta1  1  0.667  0.333  0.250  1.0
  Os  Os2  1  0.165  0.331  0.250  1.0
  Os  Os3  1  0.669  0.835  0.250  1.0
  Os  Os4  1  0.165  0.835  0.250  1.0
  Os  Os5  1  0.835  0.669  0.750  1.0
  Os  Os6  1  0.331  0.165  0.750  1.0
  Os  Os7  1  0.835  0.165  0.750  1.0
[/CIF]
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