The crystal structure described by Ca(LuTe2)2 crystallizes in the monoclinic P2/m space group. Ca(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form CaTe6 octahedra that share corners with six equivalent Lu(1)Te6 octahedra, edges with two equivalent Ca(1)Te6 octahedra, edges with two equivalent Lu(1)Te6 octahedra, and edges with four equivalent Lu(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form LuTe6 octahedra that share corners with six equivalent Ca(1)Te6 octahedra, edges with two equivalent Ca(1)Te6 octahedra, edges with two equivalent Lu(1)Te6 octahedra, and edges with four equivalent Lu(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Lu site, Lu(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form LuTe6 octahedra that share edges with two equivalent Lu(2)Te6 octahedra, edges with four equivalent Ca(1)Te6 octahedra, and edges with four equivalent Lu(1)Te6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ca(1), one Lu(2), and two equivalent Lu(1) atoms to form a mixture of edge and corner-sharing TeCa2Lu3 square pyramids. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Lu(1), and two equivalent Lu(2) atoms. is represented by the CIF card [CIF]
data_Ca(LuTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.341
_cell_length_b   7.411
_cell_length_c   7.691
_cell_angle_alpha   72.235
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.623
_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
  Ca  Ca0  1  0.000  0.500  0.500  1.0
  Lu  Lu1  1  0.000  0.000  0.000  1.0
  Lu  Lu2  1  0.500  0.500  0.000  1.0
  Te  Te3  1  0.500  0.762  0.239  1.0
  Te  Te4  1  0.000  0.256  0.232  1.0
  Te  Te5  1  0.500  0.238  0.761  1.0
  Te  Te6  1  0.000  0.744  0.768  1.0
[/CIF]
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The crystal structure described by Ca(LuTe2)2 crystallizes in the monoclinic P2/m space group. Ca(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form CaTe6 octahedra that share corners with six equivalent Lu(1)Te6 octahedra, edges with two equivalent Ca(1)Te6 octahedra, edges with two equivalent Lu(1)Te6 octahedra, and edges with four equivalent Lu(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form LuTe6 octahedra that share corners with six equivalent Ca(1)Te6 octahedra, edges with two equivalent Ca(1)Te6 octahedra, edges with two equivalent Lu(1)Te6 octahedra, and edges with four equivalent Lu(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Lu site, Lu(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form LuTe6 octahedra that share edges with two equivalent Lu(2)Te6 octahedra, edges with four equivalent Ca(1)Te6 octahedra, and edges with four equivalent Lu(1)Te6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ca(1), one Lu(2), and two equivalent Lu(1) atoms to form a mixture of edge and corner-sharing TeCa2Lu3 square pyramids. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Lu(1), and two equivalent Lu(2) atoms. is represented by the CIF card [CIF]
data_Ca(LuTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.341
_cell_length_b   7.411
_cell_length_c   7.691
_cell_angle_alpha   72.235
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.623
_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
  Ca  Ca0  1  0.000  0.500  0.500  1.0
  Lu  Lu1  1  0.000  0.000  0.000  1.0
  Lu  Lu2  1  0.500  0.500  0.000  1.0
  Te  Te3  1  0.500  0.762  0.239  1.0
  Te  Te4  1  0.000  0.256  0.232  1.0
  Te  Te5  1  0.500  0.238  0.761  1.0
  Te  Te6  1  0.000  0.744  0.768  1.0
[/CIF]
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