The material described by LaTaCrZnO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-45°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-45°. Zn(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-78°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), one Ta(1), one Cr(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one La(1), one Ta(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Ta(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one Ta(1), one Cr(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one Ta(1), one Cr(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one La(1), one Ta(1), one Cr(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTaZnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   5.423
_cell_length_c   10.003
_cell_angle_alpha   58.016
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.407
_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
  La  La0  1  0.303  0.780  0.248  1.0
  La  La1  1  0.697  0.780  0.748  1.0
  Ta  Ta2  1  0.222  0.502  0.997  1.0
  Ta  Ta3  1  0.778  0.502  0.497  1.0
  Zn  Zn4  1  0.646  0.257  0.251  1.0
  Zn  Zn5  1  0.354  0.257  0.751  1.0
  Cr  Cr6  1  0.242  0.005  0.501  1.0
  Cr  Cr7  1  0.758  0.005  0.001  1.0
  O  O8  1  0.746  0.381  0.721  1.0
  O  O9  1  0.051  0.152  0.055  1.0
  O  O10  1  0.044  0.750  0.445  1.0
  O  O11  1  0.547  0.238  0.066  1.0
  O  O12  1  0.553  0.859  0.436  1.0
  O  O13  1  0.290  0.575  0.782  1.0
  O  O14  1  0.254  0.381  0.221  1.0
  O  O15  1  0.949  0.152  0.555  1.0
  O  O16  1  0.956  0.750  0.945  1.0
  O  O17  1  0.453  0.238  0.566  1.0
  O  O18  1  0.447  0.859  0.936  1.0
  O  O19  1  0.710  0.575  0.282  1.0
[/CIF]
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The material described by LaTaCrZnO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-45°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-45°. Zn(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-78°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), one Ta(1), one Cr(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one La(1), one Ta(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Ta(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one Ta(1), one Cr(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one Ta(1), one Cr(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one La(1), one Ta(1), one Cr(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTaZnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   5.423
_cell_length_c   10.003
_cell_angle_alpha   58.016
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.407
_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
  La  La0  1  0.303  0.780  0.248  1.0
  La  La1  1  0.697  0.780  0.748  1.0
  Ta  Ta2  1  0.222  0.502  0.997  1.0
  Ta  Ta3  1  0.778  0.502  0.497  1.0
  Zn  Zn4  1  0.646  0.257  0.251  1.0
  Zn  Zn5  1  0.354  0.257  0.751  1.0
  Cr  Cr6  1  0.242  0.005  0.501  1.0
  Cr  Cr7  1  0.758  0.005  0.001  1.0
  O  O8  1  0.746  0.381  0.721  1.0
  O  O9  1  0.051  0.152  0.055  1.0
  O  O10  1  0.044  0.750  0.445  1.0
  O  O11  1  0.547  0.238  0.066  1.0
  O  O12  1  0.553  0.859  0.436  1.0
  O  O13  1  0.290  0.575  0.782  1.0
  O  O14  1  0.254  0.381  0.221  1.0
  O  O15  1  0.949  0.152  0.555  1.0
  O  O16  1  0.956  0.750  0.945  1.0
  O  O17  1  0.453  0.238  0.566  1.0
  O  O18  1  0.447  0.859  0.936  1.0
  O  O19  1  0.710  0.575  0.282  1.0
[/CIF]
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