The material described by Zr6MnTe2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Te(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one Mn(1) and four equivalent Te(1) atoms. Mn(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. Te(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr6MnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.743
_cell_length_b   7.750
_cell_length_c   7.750
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.709
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.500  0.759  0.759  1.0
  Zr  Zr1  1  0.500  0.000  0.241  1.0
  Zr  Zr2  1  0.500  0.241  1.000  1.0
  Zr  Zr3  1  1.000  0.408  0.408  1.0
  Zr  Zr4  1  0.000  0.000  0.592  1.0
  Zr  Zr5  1  0.000  0.592  0.000  1.0
  Mn  Mn6  1  1.000  0.000  1.000  1.0
  Te  Te7  1  0.500  0.667  0.333  1.0
  Te  Te8  1  0.500  0.333  0.667  1.0
[/CIF]
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The material described by Zr6MnTe2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Te(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one Mn(1) and four equivalent Te(1) atoms. Mn(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. Te(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr6MnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.743
_cell_length_b   7.750
_cell_length_c   7.750
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.709
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.500  0.759  0.759  1.0
  Zr  Zr1  1  0.500  0.000  0.241  1.0
  Zr  Zr2  1  0.500  0.241  1.000  1.0
  Zr  Zr3  1  1.000  0.408  0.408  1.0
  Zr  Zr4  1  0.000  0.000  0.592  1.0
  Zr  Zr5  1  0.000  0.592  0.000  1.0
  Mn  Mn6  1  1.000  0.000  1.000  1.0
  Te  Te7  1  0.500  0.667  0.333  1.0
  Te  Te8  1  0.500  0.333  0.667  1.0
[/CIF]
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