The compound described by Ca2CoTeO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Co(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Co(1), and one Te(1) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one Co(1), and one Te(1) atom to form distorted corner-sharing OCa2CoTe tetrahedra. is represented by the CIF file [CIF]
data_Ca2CoTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.664
_cell_length_c   7.813
_cell_angle_alpha   90.004
_cell_angle_beta   89.658
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   243.410
_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
  Ca  Ca0  1  0.987  0.948  0.749  1.0
  Ca  Ca1  1  0.013  0.052  0.251  1.0
  Ca  Ca2  1  0.513  0.448  0.751  1.0
  Ca  Ca3  1  0.487  0.552  0.249  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.688  0.715  0.553  1.0
  O  O7  1  0.188  0.785  0.053  1.0
  O  O8  1  0.312  0.285  0.447  1.0
  O  O9  1  0.812  0.215  0.947  1.0
  O  O10  1  0.789  0.191  0.546  1.0
  O  O11  1  0.289  0.309  0.046  1.0
  O  O12  1  0.211  0.809  0.454  1.0
  O  O13  1  0.711  0.691  0.954  1.0
  O  O14  1  0.904  0.466  0.241  1.0
  O  O15  1  0.596  0.966  0.259  1.0
  O  O16  1  0.096  0.534  0.759  1.0
  O  O17  1  0.404  0.034  0.741  1.0
  Te  Te18  1  1.000  0.500  0.000  1.0
  Te  Te19  1  0.500  1.000  0.500  1.0
[/CIF]
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The compound described by Ca2CoTeO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Co(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Co(1), and one Te(1) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one Co(1), and one Te(1) atom to form distorted corner-sharing OCa2CoTe tetrahedra. is represented by the CIF file [CIF]
data_Ca2CoTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.664
_cell_length_c   7.813
_cell_angle_alpha   90.004
_cell_angle_beta   89.658
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   243.410
_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
  Ca  Ca0  1  0.987  0.948  0.749  1.0
  Ca  Ca1  1  0.013  0.052  0.251  1.0
  Ca  Ca2  1  0.513  0.448  0.751  1.0
  Ca  Ca3  1  0.487  0.552  0.249  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.688  0.715  0.553  1.0
  O  O7  1  0.188  0.785  0.053  1.0
  O  O8  1  0.312  0.285  0.447  1.0
  O  O9  1  0.812  0.215  0.947  1.0
  O  O10  1  0.789  0.191  0.546  1.0
  O  O11  1  0.289  0.309  0.046  1.0
  O  O12  1  0.211  0.809  0.454  1.0
  O  O13  1  0.711  0.691  0.954  1.0
  O  O14  1  0.904  0.466  0.241  1.0
  O  O15  1  0.596  0.966  0.259  1.0
  O  O16  1  0.096  0.534  0.759  1.0
  O  O17  1  0.404  0.034  0.741  1.0
  Te  Te18  1  1.000  0.500  0.000  1.0
  Te  Te19  1  0.500  1.000  0.500  1.0
[/CIF]
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