The crystal structure described by Ta2CrZn2O8 crystallizes in the triclinic P-1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form distorted TaO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Ta site, Ta(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom 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 44-56°. Cr(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted see-saw-like geometry to one O(5), one O(7), and two equivalent O(8) atoms. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one O(6), one O(8), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ta(2) and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Zn(2) atom. In the seventh O site, O(7) is bonded to one Ta(2), one Zn(1), and two equivalent Zn(2) atoms to form a mixture of corner and edge-sharing OTaZn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Ta(1), one Zn(2), and two 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   5.286
_cell_length_b   6.021
_cell_length_c   10.144
_cell_angle_alpha   104.412
_cell_angle_beta   90.881
_cell_angle_gamma   91.078
_symmetry_Int_Tables_number   1
_cell_volume   312.583
_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
  Cr  Cr0  1  0.750  0.644  0.998  1.0
  Cr  Cr1  1  0.244  0.354  0.002  1.0
  O  O2  1  0.059  0.202  0.146  1.0
  O  O3  1  0.444  0.017  0.852  1.0
  O  O4  1  0.936  0.796  0.855  1.0
  O  O5  1  0.551  0.980  0.148  1.0
  O  O6  1  0.586  0.439  0.117  1.0
  O  O7  1  0.926  0.287  0.878  1.0
  O  O8  1  0.409  0.558  0.883  1.0
  O  O9  1  0.069  0.711  0.122  1.0
  O  O10  1  0.427  0.287  0.361  1.0
  O  O11  1  0.068  0.919  0.641  1.0
  O  O12  1  0.927  0.079  0.359  1.0
  O  O13  1  0.568  0.711  0.640  1.0
  O  O14  1  0.356  0.843  0.388  1.0
  O  O15  1  0.139  0.450  0.613  1.0
  O  O16  1  0.639  0.154  0.612  1.0
  O  O17  1  0.856  0.547  0.387  1.0
  Ta  Ta18  1  0.727  0.279  0.236  1.0
  Ta  Ta19  1  0.772  0.030  0.766  1.0
  Ta  Ta20  1  0.268  0.718  0.764  1.0
  Ta  Ta21  1  0.223  0.968  0.235  1.0
  Zn  Zn22  1  0.765  0.435  0.565  1.0
  Zn  Zn23  1  0.729  0.869  0.442  1.0
  Zn  Zn24  1  0.230  0.562  0.435  1.0
  Zn  Zn25  1  0.266  0.129  0.558  1.0
[/CIF]
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The crystal structure described by Ta2CrZn2O8 crystallizes in the triclinic P-1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form distorted TaO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Ta site, Ta(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom 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 44-56°. Cr(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted see-saw-like geometry to one O(5), one O(7), and two equivalent O(8) atoms. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one O(6), one O(8), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ta(2) and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Zn(2) atom. In the seventh O site, O(7) is bonded to one Ta(2), one Zn(1), and two equivalent Zn(2) atoms to form a mixture of corner and edge-sharing OTaZn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Ta(1), one Zn(2), and two 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   5.286
_cell_length_b   6.021
_cell_length_c   10.144
_cell_angle_alpha   104.412
_cell_angle_beta   90.881
_cell_angle_gamma   91.078
_symmetry_Int_Tables_number   1
_cell_volume   312.583
_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
  Cr  Cr0  1  0.750  0.644  0.998  1.0
  Cr  Cr1  1  0.244  0.354  0.002  1.0
  O  O2  1  0.059  0.202  0.146  1.0
  O  O3  1  0.444  0.017  0.852  1.0
  O  O4  1  0.936  0.796  0.855  1.0
  O  O5  1  0.551  0.980  0.148  1.0
  O  O6  1  0.586  0.439  0.117  1.0
  O  O7  1  0.926  0.287  0.878  1.0
  O  O8  1  0.409  0.558  0.883  1.0
  O  O9  1  0.069  0.711  0.122  1.0
  O  O10  1  0.427  0.287  0.361  1.0
  O  O11  1  0.068  0.919  0.641  1.0
  O  O12  1  0.927  0.079  0.359  1.0
  O  O13  1  0.568  0.711  0.640  1.0
  O  O14  1  0.356  0.843  0.388  1.0
  O  O15  1  0.139  0.450  0.613  1.0
  O  O16  1  0.639  0.154  0.612  1.0
  O  O17  1  0.856  0.547  0.387  1.0
  Ta  Ta18  1  0.727  0.279  0.236  1.0
  Ta  Ta19  1  0.772  0.030  0.766  1.0
  Ta  Ta20  1  0.268  0.718  0.764  1.0
  Ta  Ta21  1  0.223  0.968  0.235  1.0
  Zn  Zn22  1  0.765  0.435  0.565  1.0
  Zn  Zn23  1  0.729  0.869  0.442  1.0
  Zn  Zn24  1  0.230  0.562  0.435  1.0
  Zn  Zn25  1  0.266  0.129  0.558  1.0
[/CIF]
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