The compound described by MnTe6O13 crystallizes in the trigonal R-3 space group. Mn(1) is bonded in a distorted octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Te(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Te(2) atoms. is represented by the CIF card [CIF]
data_MnTe6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.735
_cell_length_b   8.735
_cell_length_c   8.735
_cell_angle_alpha   71.664
_cell_angle_beta   71.664
_cell_angle_gamma   71.664
_symmetry_Int_Tables_number   1
_cell_volume   583.034
_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  0.756  0.756  0.756  1.0
  Mn  Mn1  1  0.244  0.244  0.244  1.0
  Te  Te2  1  0.834  0.514  0.441  1.0
  Te  Te3  1  0.441  0.834  0.514  1.0
  Te  Te4  1  0.514  0.441  0.834  1.0
  Te  Te5  1  0.166  0.486  0.559  1.0
  Te  Te6  1  0.559  0.166  0.486  1.0
  Te  Te7  1  0.486  0.559  0.166  1.0
  Te  Te8  1  0.970  0.080  0.676  1.0
  Te  Te9  1  0.676  0.970  0.080  1.0
  Te  Te10  1  0.080  0.676  0.970  1.0
  Te  Te11  1  0.030  0.920  0.324  1.0
  Te  Te12  1  0.324  0.030  0.920  1.0
  Te  Te13  1  0.920  0.324  0.030  1.0
  O  O14  1  0.898  0.574  0.605  1.0
  O  O15  1  0.605  0.898  0.574  1.0
  O  O16  1  0.574  0.605  0.898  1.0
  O  O17  1  0.102  0.426  0.395  1.0
  O  O18  1  0.395  0.102  0.426  1.0
  O  O19  1  0.426  0.395  0.102  1.0
  O  O20  1  0.863  0.960  0.618  1.0
  O  O21  1  0.618  0.863  0.960  1.0
  O  O22  1  0.960  0.618  0.863  1.0
  O  O23  1  0.137  0.040  0.382  1.0
  O  O24  1  0.382  0.137  0.040  1.0
  O  O25  1  0.040  0.382  0.137  1.0
  O  O26  1  0.589  0.589  0.589  1.0
  O  O27  1  0.411  0.411  0.411  1.0
  O  O28  1  0.806  0.301  0.552  1.0
  O  O29  1  0.552  0.806  0.301  1.0
  O  O30  1  0.301  0.552  0.806  1.0
  O  O31  1  0.194  0.699  0.448  1.0
  O  O32  1  0.448  0.194  0.699  1.0
  O  O33  1  0.699  0.448  0.194  1.0
  O  O34  1  0.111  0.875  0.801  1.0
  O  O35  1  0.801  0.111  0.875  1.0
  O  O36  1  0.875  0.801  0.111  1.0
  O  O37  1  0.889  0.125  0.199  1.0
  O  O38  1  0.199  0.889  0.125  1.0
  O  O39  1  0.125  0.199  0.889  1.0
[/CIF]
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The compound described by MnTe6O13 crystallizes in the trigonal R-3 space group. Mn(1) is bonded in a distorted octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Te(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Te(2) atoms. is represented by the CIF card [CIF]
data_MnTe6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.735
_cell_length_b   8.735
_cell_length_c   8.735
_cell_angle_alpha   71.664
_cell_angle_beta   71.664
_cell_angle_gamma   71.664
_symmetry_Int_Tables_number   1
_cell_volume   583.034
_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  0.756  0.756  0.756  1.0
  Mn  Mn1  1  0.244  0.244  0.244  1.0
  Te  Te2  1  0.834  0.514  0.441  1.0
  Te  Te3  1  0.441  0.834  0.514  1.0
  Te  Te4  1  0.514  0.441  0.834  1.0
  Te  Te5  1  0.166  0.486  0.559  1.0
  Te  Te6  1  0.559  0.166  0.486  1.0
  Te  Te7  1  0.486  0.559  0.166  1.0
  Te  Te8  1  0.970  0.080  0.676  1.0
  Te  Te9  1  0.676  0.970  0.080  1.0
  Te  Te10  1  0.080  0.676  0.970  1.0
  Te  Te11  1  0.030  0.920  0.324  1.0
  Te  Te12  1  0.324  0.030  0.920  1.0
  Te  Te13  1  0.920  0.324  0.030  1.0
  O  O14  1  0.898  0.574  0.605  1.0
  O  O15  1  0.605  0.898  0.574  1.0
  O  O16  1  0.574  0.605  0.898  1.0
  O  O17  1  0.102  0.426  0.395  1.0
  O  O18  1  0.395  0.102  0.426  1.0
  O  O19  1  0.426  0.395  0.102  1.0
  O  O20  1  0.863  0.960  0.618  1.0
  O  O21  1  0.618  0.863  0.960  1.0
  O  O22  1  0.960  0.618  0.863  1.0
  O  O23  1  0.137  0.040  0.382  1.0
  O  O24  1  0.382  0.137  0.040  1.0
  O  O25  1  0.040  0.382  0.137  1.0
  O  O26  1  0.589  0.589  0.589  1.0
  O  O27  1  0.411  0.411  0.411  1.0
  O  O28  1  0.806  0.301  0.552  1.0
  O  O29  1  0.552  0.806  0.301  1.0
  O  O30  1  0.301  0.552  0.806  1.0
  O  O31  1  0.194  0.699  0.448  1.0
  O  O32  1  0.448  0.194  0.699  1.0
  O  O33  1  0.699  0.448  0.194  1.0
  O  O34  1  0.111  0.875  0.801  1.0
  O  O35  1  0.801  0.111  0.875  1.0
  O  O36  1  0.875  0.801  0.111  1.0
  O  O37  1  0.889  0.125  0.199  1.0
  O  O38  1  0.199  0.889  0.125  1.0
  O  O39  1  0.125  0.199  0.889  1.0
[/CIF]
.