The material described by Ta2CrZn2O8 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted TaO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Zn(1) is bonded in a distorted see-saw-like geometry to one O(3) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OTaZn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2Zn2CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.254
_cell_length_b   10.254
_cell_length_c   5.298
_cell_angle_alpha   88.522
_cell_angle_beta   88.522
_cell_angle_gamma   34.018
_symmetry_Int_Tables_number   1
_cell_volume   311.557
_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
  Ta  Ta0  1  0.038  0.728  0.232  1.0
  Ta  Ta1  1  0.272  0.962  0.268  1.0
  Ta  Ta2  1  0.962  0.272  0.768  1.0
  Ta  Ta3  1  0.728  0.038  0.732  1.0
  Zn  Zn4  1  0.871  0.566  0.269  1.0
  Zn  Zn5  1  0.434  0.129  0.231  1.0
  Zn  Zn6  1  0.129  0.434  0.731  1.0
  Zn  Zn7  1  0.566  0.871  0.769  1.0
  Cr  Cr8  1  0.649  0.351  0.250  1.0
  Cr  Cr9  1  0.351  0.649  0.750  1.0
  O  O10  1  0.043  0.811  0.562  1.0
  O  O11  1  0.189  0.957  0.938  1.0
  O  O12  1  0.957  0.189  0.438  1.0
  O  O13  1  0.811  0.043  0.062  1.0
  O  O14  1  0.305  0.578  0.081  1.0
  O  O15  1  0.422  0.695  0.419  1.0
  O  O16  1  0.695  0.422  0.919  1.0
  O  O17  1  0.578  0.305  0.581  1.0
  O  O18  1  0.924  0.718  0.933  1.0
  O  O19  1  0.282  0.076  0.567  1.0
  O  O20  1  0.452  0.160  0.860  1.0
  O  O21  1  0.840  0.548  0.640  1.0
  O  O22  1  0.548  0.840  0.140  1.0
  O  O23  1  0.160  0.452  0.360  1.0
  O  O24  1  0.718  0.924  0.433  1.0
  O  O25  1  0.076  0.282  0.067  1.0
[/CIF]
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The material described by Ta2CrZn2O8 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted TaO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Zn(1) is bonded in a distorted see-saw-like geometry to one O(3) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OTaZn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2Zn2CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.254
_cell_length_b   10.254
_cell_length_c   5.298
_cell_angle_alpha   88.522
_cell_angle_beta   88.522
_cell_angle_gamma   34.018
_symmetry_Int_Tables_number   1
_cell_volume   311.557
_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
  Ta  Ta0  1  0.038  0.728  0.232  1.0
  Ta  Ta1  1  0.272  0.962  0.268  1.0
  Ta  Ta2  1  0.962  0.272  0.768  1.0
  Ta  Ta3  1  0.728  0.038  0.732  1.0
  Zn  Zn4  1  0.871  0.566  0.269  1.0
  Zn  Zn5  1  0.434  0.129  0.231  1.0
  Zn  Zn6  1  0.129  0.434  0.731  1.0
  Zn  Zn7  1  0.566  0.871  0.769  1.0
  Cr  Cr8  1  0.649  0.351  0.250  1.0
  Cr  Cr9  1  0.351  0.649  0.750  1.0
  O  O10  1  0.043  0.811  0.562  1.0
  O  O11  1  0.189  0.957  0.938  1.0
  O  O12  1  0.957  0.189  0.438  1.0
  O  O13  1  0.811  0.043  0.062  1.0
  O  O14  1  0.305  0.578  0.081  1.0
  O  O15  1  0.422  0.695  0.419  1.0
  O  O16  1  0.695  0.422  0.919  1.0
  O  O17  1  0.578  0.305  0.581  1.0
  O  O18  1  0.924  0.718  0.933  1.0
  O  O19  1  0.282  0.076  0.567  1.0
  O  O20  1  0.452  0.160  0.860  1.0
  O  O21  1  0.840  0.548  0.640  1.0
  O  O22  1  0.548  0.840  0.140  1.0
  O  O23  1  0.160  0.452  0.360  1.0
  O  O24  1  0.718  0.924  0.433  1.0
  O  O25  1  0.076  0.282  0.067  1.0
[/CIF]
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