The compound described by TeMo6 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmce space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 8-coordinate geometry to four equivalent Mo(1), four equivalent Mo(2), and two equivalent Te(1) atoms. In the second Mo site, Mo(1) is bonded to four equivalent Mo(1) and eight equivalent Mo(2) atoms to form a mixture of distorted corner and face-sharing MoMo12 cuboctahedra. Te(1) is bonded in a 8-coordinate geometry to eight equivalent Mo(2) atoms. is represented by the CIF file [CIF]
data_TeMo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.297
_cell_length_b   9.297
_cell_length_c   5.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.501
_symmetry_Int_Tables_number   1
_cell_volume   254.622
_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
  Te  Te0  1  0.000  0.000  0.000  1.0
  Te  Te1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.251  0.749  0.000  1.0
  Mo  Mo3  1  0.249  0.751  0.500  1.0
  Mo  Mo4  1  0.749  0.251  0.000  1.0
  Mo  Mo5  1  0.751  0.249  0.500  1.0
  Mo  Mo6  1  0.302  0.050  0.262  1.0
  Mo  Mo7  1  0.550  0.802  0.238  1.0
  Mo  Mo8  1  0.198  0.450  0.762  1.0
  Mo  Mo9  1  0.950  0.698  0.738  1.0
  Mo  Mo10  1  0.698  0.950  0.738  1.0
  Mo  Mo11  1  0.450  0.198  0.762  1.0
  Mo  Mo12  1  0.802  0.550  0.238  1.0
  Mo  Mo13  1  0.050  0.302  0.262  1.0
[/CIF]
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The compound described by TeMo6 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmce space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 8-coordinate geometry to four equivalent Mo(1), four equivalent Mo(2), and two equivalent Te(1) atoms. In the second Mo site, Mo(1) is bonded to four equivalent Mo(1) and eight equivalent Mo(2) atoms to form a mixture of distorted corner and face-sharing MoMo12 cuboctahedra. Te(1) is bonded in a 8-coordinate geometry to eight equivalent Mo(2) atoms. is represented by the CIF file [CIF]
data_TeMo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.297
_cell_length_b   9.297
_cell_length_c   5.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.501
_symmetry_Int_Tables_number   1
_cell_volume   254.622
_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
  Te  Te0  1  0.000  0.000  0.000  1.0
  Te  Te1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.251  0.749  0.000  1.0
  Mo  Mo3  1  0.249  0.751  0.500  1.0
  Mo  Mo4  1  0.749  0.251  0.000  1.0
  Mo  Mo5  1  0.751  0.249  0.500  1.0
  Mo  Mo6  1  0.302  0.050  0.262  1.0
  Mo  Mo7  1  0.550  0.802  0.238  1.0
  Mo  Mo8  1  0.198  0.450  0.762  1.0
  Mo  Mo9  1  0.950  0.698  0.738  1.0
  Mo  Mo10  1  0.698  0.950  0.738  1.0
  Mo  Mo11  1  0.450  0.198  0.762  1.0
  Mo  Mo12  1  0.802  0.550  0.238  1.0
  Mo  Mo13  1  0.050  0.302  0.262  1.0
[/CIF]
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