The material structure described by MnOs3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Os(1) atoms to form MnOs12 cuboctahedra that share corners with six equivalent Mn(1)Os12 cuboctahedra, corners with twelve equivalent Os(1)Mn4Os8 cuboctahedra, edges with eighteen equivalent Os(1)Mn4Os8 cuboctahedra, faces with eight equivalent Mn(1)Os12 cuboctahedra, and faces with twelve equivalent Os(1)Mn4Os8 cuboctahedra. Os(1) is bonded to four equivalent Mn(1) and eight equivalent Os(1) atoms to form distorted OsMn4Os8 cuboctahedra that share corners with four equivalent Mn(1)Os12 cuboctahedra, corners with fourteen equivalent Os(1)Mn4Os8 cuboctahedra, edges with six equivalent Mn(1)Os12 cuboctahedra, edges with twelve equivalent Os(1)Mn4Os8 cuboctahedra, faces with four equivalent Mn(1)Os12 cuboctahedra, and faces with sixteen equivalent Os(1)Mn4Os8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   5.414
_cell_length_c   4.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   108.331
_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
  Mn  Mn0  1  0.667  0.333  0.250  1.0
  Mn  Mn1  1  0.333  0.667  0.750  1.0
  Os  Os2  1  0.831  0.169  0.750  1.0
  Os  Os3  1  0.339  0.169  0.750  1.0
  Os  Os4  1  0.661  0.831  0.250  1.0
  Os  Os5  1  0.169  0.831  0.250  1.0
  Os  Os6  1  0.831  0.661  0.750  1.0
  Os  Os7  1  0.169  0.339  0.250  1.0
[/CIF]
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The material structure described by MnOs3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Os(1) atoms to form MnOs12 cuboctahedra that share corners with six equivalent Mn(1)Os12 cuboctahedra, corners with twelve equivalent Os(1)Mn4Os8 cuboctahedra, edges with eighteen equivalent Os(1)Mn4Os8 cuboctahedra, faces with eight equivalent Mn(1)Os12 cuboctahedra, and faces with twelve equivalent Os(1)Mn4Os8 cuboctahedra. Os(1) is bonded to four equivalent Mn(1) and eight equivalent Os(1) atoms to form distorted OsMn4Os8 cuboctahedra that share corners with four equivalent Mn(1)Os12 cuboctahedra, corners with fourteen equivalent Os(1)Mn4Os8 cuboctahedra, edges with six equivalent Mn(1)Os12 cuboctahedra, edges with twelve equivalent Os(1)Mn4Os8 cuboctahedra, faces with four equivalent Mn(1)Os12 cuboctahedra, and faces with sixteen equivalent Os(1)Mn4Os8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   5.414
_cell_length_c   4.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   108.331
_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
  Mn  Mn0  1  0.667  0.333  0.250  1.0
  Mn  Mn1  1  0.333  0.667  0.750  1.0
  Os  Os2  1  0.831  0.169  0.750  1.0
  Os  Os3  1  0.339  0.169  0.750  1.0
  Os  Os4  1  0.661  0.831  0.250  1.0
  Os  Os5  1  0.169  0.831  0.250  1.0
  Os  Os6  1  0.831  0.661  0.750  1.0
  Os  Os7  1  0.169  0.339  0.250  1.0
[/CIF]
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