The compound described by Ba3TeCo3P2O14 is Esseneite-derived structured and crystallizes in the trigonal P321 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Co(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with two equivalent Te(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. P(1) is bonded to one O(1) and three equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Co(1)O4 tetrahedra. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Co(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Co(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Ba3Co3Te(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.370
_cell_length_b   8.603
_cell_length_c   8.604
_cell_angle_alpha   119.999
_cell_angle_beta   89.991
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   344.258
_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
  Ba  Ba0  1  0.000  0.566  0.566  1.0
  Ba  Ba1  1  1.000  1.000  0.434  1.0
  Ba  Ba2  1  0.000  0.434  1.000  1.0
  Co  Co3  1  0.500  0.238  0.238  1.0
  Co  Co4  1  0.500  1.000  0.762  1.0
  Co  Co5  1  0.500  0.762  1.000  1.0
  O  O6  1  0.749  0.667  0.333  1.0
  O  O7  1  0.251  0.333  0.667  1.0
  O  O8  1  0.210  0.785  0.881  1.0
  O  O9  1  0.210  0.096  0.215  1.0
  O  O10  1  0.210  0.119  0.904  1.0
  O  O11  1  0.790  0.904  0.119  1.0
  O  O12  1  0.790  0.215  0.096  1.0
  O  O13  1  0.790  0.881  0.785  1.0
  O  O14  1  0.648  0.519  0.810  1.0
  O  O15  1  0.648  0.291  0.481  1.0
  O  O16  1  0.648  0.190  0.709  1.0
  O  O17  1  0.352  0.709  0.190  1.0
  O  O18  1  0.352  0.481  0.291  1.0
  O  O19  1  0.352  0.810  0.519  1.0
  P  P20  1  0.462  0.667  0.333  1.0
  P  P21  1  0.538  0.333  0.667  1.0
  Te  Te22  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ba3TeCo3P2O14 is Esseneite-derived structured and crystallizes in the trigonal P321 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Co(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with two equivalent Te(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. P(1) is bonded to one O(1) and three equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Co(1)O4 tetrahedra. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Co(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Co(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Ba3Co3Te(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.370
_cell_length_b   8.603
_cell_length_c   8.604
_cell_angle_alpha   119.999
_cell_angle_beta   89.991
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   344.258
_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
  Ba  Ba0  1  0.000  0.566  0.566  1.0
  Ba  Ba1  1  1.000  1.000  0.434  1.0
  Ba  Ba2  1  0.000  0.434  1.000  1.0
  Co  Co3  1  0.500  0.238  0.238  1.0
  Co  Co4  1  0.500  1.000  0.762  1.0
  Co  Co5  1  0.500  0.762  1.000  1.0
  O  O6  1  0.749  0.667  0.333  1.0
  O  O7  1  0.251  0.333  0.667  1.0
  O  O8  1  0.210  0.785  0.881  1.0
  O  O9  1  0.210  0.096  0.215  1.0
  O  O10  1  0.210  0.119  0.904  1.0
  O  O11  1  0.790  0.904  0.119  1.0
  O  O12  1  0.790  0.215  0.096  1.0
  O  O13  1  0.790  0.881  0.785  1.0
  O  O14  1  0.648  0.519  0.810  1.0
  O  O15  1  0.648  0.291  0.481  1.0
  O  O16  1  0.648  0.190  0.709  1.0
  O  O17  1  0.352  0.709  0.190  1.0
  O  O18  1  0.352  0.481  0.291  1.0
  O  O19  1  0.352  0.810  0.519  1.0
  P  P20  1  0.462  0.667  0.333  1.0
  P  P21  1  0.538  0.333  0.667  1.0
  Te  Te22  1  0.000  0.000  0.000  1.0
[/CIF]
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