The compound described by MnTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Tl(1) atoms to form MnTl12 cuboctahedra that share corners with six equivalent Mn(1)Tl12 cuboctahedra, corners with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with eighteen equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with eight equivalent Mn(1)Tl12 cuboctahedra, and faces with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra. Tl(1) is bonded to four equivalent Mn(1) and eight equivalent Tl(1) atoms to form TlMn4Tl8 cuboctahedra that share corners with four equivalent Mn(1)Tl12 cuboctahedra, corners with fourteen equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with six equivalent Mn(1)Tl12 cuboctahedra, edges with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with four equivalent Mn(1)Tl12 cuboctahedra, and faces with sixteen equivalent Tl(1)Mn4Tl8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.703
_cell_length_b   6.703
_cell_length_c   5.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   212.395
_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  0.333  0.667  0.750  1.0
  Mn  Mn1  1  0.667  0.333  0.250  1.0
  Tl  Tl2  1  0.171  0.342  0.250  1.0
  Tl  Tl3  1  0.658  0.829  0.250  1.0
  Tl  Tl4  1  0.171  0.829  0.250  1.0
  Tl  Tl5  1  0.829  0.658  0.750  1.0
  Tl  Tl6  1  0.342  0.171  0.750  1.0
  Tl  Tl7  1  0.829  0.171  0.750  1.0
[/CIF]
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The compound described by MnTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Tl(1) atoms to form MnTl12 cuboctahedra that share corners with six equivalent Mn(1)Tl12 cuboctahedra, corners with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with eighteen equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with eight equivalent Mn(1)Tl12 cuboctahedra, and faces with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra. Tl(1) is bonded to four equivalent Mn(1) and eight equivalent Tl(1) atoms to form TlMn4Tl8 cuboctahedra that share corners with four equivalent Mn(1)Tl12 cuboctahedra, corners with fourteen equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with six equivalent Mn(1)Tl12 cuboctahedra, edges with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with four equivalent Mn(1)Tl12 cuboctahedra, and faces with sixteen equivalent Tl(1)Mn4Tl8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.703
_cell_length_b   6.703
_cell_length_c   5.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   212.395
_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  0.333  0.667  0.750  1.0
  Mn  Mn1  1  0.667  0.333  0.250  1.0
  Tl  Tl2  1  0.171  0.342  0.250  1.0
  Tl  Tl3  1  0.658  0.829  0.250  1.0
  Tl  Tl4  1  0.171  0.829  0.250  1.0
  Tl  Tl5  1  0.829  0.658  0.750  1.0
  Tl  Tl6  1  0.342  0.171  0.750  1.0
  Tl  Tl7  1  0.829  0.171  0.750  1.0
[/CIF]
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