The compound described by Ba(P2Te)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to one P(1), one P(3), two equivalent P(2), three equivalent Te(1), and four equivalent Te(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), two equivalent P(2), and one Te(2) atom. In the second P site, P(2) is bonded to one Ba(1), one P(1), one P(2), and one P(3) atom to form PBaP3 trigonal pyramids that share corners with two equivalent P(3)BaTeP2 tetrahedra,  a cornercorner with one P(2)BaP3 trigonal pyramid, and  an edgeedge with one P(2)BaP3 trigonal pyramid. In the third P site, P(3) is bonded to one Ba(1), two equivalent P(2), and one Te(1) atom to form corner-sharing PBaTeP2 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one P(3), and one Te(2) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one P(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_Ba(TeP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.530
_cell_length_b   7.247
_cell_length_c   16.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   789.385
_cell_formula_units_Z   4
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  0.250  0.399  0.662  1.0
  Ba  Ba1  1  0.750  0.601  0.338  1.0
  Ba  Ba2  1  0.750  0.899  0.838  1.0
  Ba  Ba3  1  0.250  0.101  0.162  1.0
  Te  Te4  1  0.750  0.562  0.563  1.0
  Te  Te5  1  0.250  0.438  0.437  1.0
  Te  Te6  1  0.250  0.062  0.937  1.0
  Te  Te7  1  0.750  0.938  0.063  1.0
  Te  Te8  1  0.250  0.907  0.747  1.0
  Te  Te9  1  0.750  0.093  0.253  1.0
  Te  Te10  1  0.750  0.407  0.753  1.0
  Te  Te11  1  0.250  0.593  0.247  1.0
  P  P12  1  0.250  0.832  0.596  1.0
  P  P13  1  0.750  0.168  0.404  1.0
  P  P14  1  0.750  0.332  0.904  1.0
  P  P15  1  0.250  0.668  0.096  1.0
  P  P16  1  0.508  0.965  0.435  1.0
  P  P17  1  0.008  0.035  0.565  1.0
  P  P18  1  0.492  0.465  0.065  1.0
  P  P19  1  0.992  0.535  0.935  1.0
  P  P20  1  0.492  0.035  0.565  1.0
  P  P21  1  0.992  0.965  0.435  1.0
  P  P22  1  0.508  0.535  0.935  1.0
  P  P23  1  0.008  0.465  0.065  1.0
  P  P24  1  0.250  0.120  0.379  1.0
  P  P25  1  0.750  0.880  0.621  1.0
  P  P26  1  0.750  0.620  0.121  1.0
  P  P27  1  0.250  0.380  0.879  1.0
[/CIF]
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The compound described by Ba(P2Te)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to one P(1), one P(3), two equivalent P(2), three equivalent Te(1), and four equivalent Te(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), two equivalent P(2), and one Te(2) atom. In the second P site, P(2) is bonded to one Ba(1), one P(1), one P(2), and one P(3) atom to form PBaP3 trigonal pyramids that share corners with two equivalent P(3)BaTeP2 tetrahedra,  a cornercorner with one P(2)BaP3 trigonal pyramid, and  an edgeedge with one P(2)BaP3 trigonal pyramid. In the third P site, P(3) is bonded to one Ba(1), two equivalent P(2), and one Te(1) atom to form corner-sharing PBaTeP2 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one P(3), and one Te(2) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one P(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_Ba(TeP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.530
_cell_length_b   7.247
_cell_length_c   16.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   789.385
_cell_formula_units_Z   4
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  0.250  0.399  0.662  1.0
  Ba  Ba1  1  0.750  0.601  0.338  1.0
  Ba  Ba2  1  0.750  0.899  0.838  1.0
  Ba  Ba3  1  0.250  0.101  0.162  1.0
  Te  Te4  1  0.750  0.562  0.563  1.0
  Te  Te5  1  0.250  0.438  0.437  1.0
  Te  Te6  1  0.250  0.062  0.937  1.0
  Te  Te7  1  0.750  0.938  0.063  1.0
  Te  Te8  1  0.250  0.907  0.747  1.0
  Te  Te9  1  0.750  0.093  0.253  1.0
  Te  Te10  1  0.750  0.407  0.753  1.0
  Te  Te11  1  0.250  0.593  0.247  1.0
  P  P12  1  0.250  0.832  0.596  1.0
  P  P13  1  0.750  0.168  0.404  1.0
  P  P14  1  0.750  0.332  0.904  1.0
  P  P15  1  0.250  0.668  0.096  1.0
  P  P16  1  0.508  0.965  0.435  1.0
  P  P17  1  0.008  0.035  0.565  1.0
  P  P18  1  0.492  0.465  0.065  1.0
  P  P19  1  0.992  0.535  0.935  1.0
  P  P20  1  0.492  0.035  0.565  1.0
  P  P21  1  0.992  0.965  0.435  1.0
  P  P22  1  0.508  0.535  0.935  1.0
  P  P23  1  0.008  0.465  0.065  1.0
  P  P24  1  0.250  0.120  0.379  1.0
  P  P25  1  0.750  0.880  0.621  1.0
  P  P26  1  0.750  0.620  0.121  1.0
  P  P27  1  0.250  0.380  0.879  1.0
[/CIF]
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