The material described by BaZnV2O7 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 10-coordinate geometry to one O(5), two equivalent O(2), three equivalent O(4), and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. Zn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(4) is bonded in a single-bond geometry to three equivalent Ba(1) and one V(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one V(1) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(2), and one Zn(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaV2ZnO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   7.556
_cell_length_c   15.429
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   648.601
_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  0.647  0.290  1.0
  Ba  Ba1  1  0.750  0.353  0.710  1.0
  Ba  Ba2  1  0.750  0.147  0.210  1.0
  Ba  Ba3  1  0.250  0.853  0.790  1.0
  V  V4  1  0.250  0.306  0.057  1.0
  V  V5  1  0.750  0.694  0.943  1.0
  V  V6  1  0.750  0.806  0.443  1.0
  V  V7  1  0.250  0.194  0.557  1.0
  V  V8  1  0.250  0.172  0.359  1.0
  V  V9  1  0.750  0.828  0.641  1.0
  V  V10  1  0.750  0.672  0.141  1.0
  V  V11  1  0.250  0.328  0.859  1.0
  Zn  Zn12  1  0.250  0.851  0.048  1.0
  Zn  Zn13  1  0.750  0.149  0.952  1.0
  Zn  Zn14  1  0.750  0.351  0.452  1.0
  Zn  Zn15  1  0.250  0.649  0.548  1.0
  O  O16  1  0.998  0.308  0.356  1.0
  O  O17  1  0.002  0.692  0.644  1.0
  O  O18  1  0.002  0.808  0.144  1.0
  O  O19  1  0.498  0.692  0.644  1.0
  O  O20  1  0.998  0.192  0.856  1.0
  O  O21  1  0.502  0.308  0.356  1.0
  O  O22  1  0.502  0.192  0.856  1.0
  O  O23  1  0.498  0.808  0.144  1.0
  O  O24  1  0.998  0.169  0.050  1.0
  O  O25  1  0.002  0.831  0.950  1.0
  O  O26  1  0.002  0.669  0.450  1.0
  O  O27  1  0.498  0.831  0.950  1.0
  O  O28  1  0.998  0.331  0.550  1.0
  O  O29  1  0.502  0.169  0.050  1.0
  O  O30  1  0.502  0.331  0.550  1.0
  O  O31  1  0.498  0.669  0.450  1.0
  O  O32  1  0.250  0.051  0.461  1.0
  O  O33  1  0.750  0.949  0.539  1.0
  O  O34  1  0.750  0.551  0.039  1.0
  O  O35  1  0.250  0.449  0.961  1.0
  O  O36  1  0.250  0.041  0.270  1.0
  O  O37  1  0.750  0.959  0.730  1.0
  O  O38  1  0.750  0.541  0.230  1.0
  O  O39  1  0.250  0.459  0.770  1.0
  O  O40  1  0.250  0.418  0.151  1.0
  O  O41  1  0.750  0.582  0.849  1.0
  O  O42  1  0.750  0.918  0.349  1.0
  O  O43  1  0.250  0.082  0.651  1.0
[/CIF]
.
The material described by BaZnV2O7 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 10-coordinate geometry to one O(5), two equivalent O(2), three equivalent O(4), and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. Zn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(4) is bonded in a single-bond geometry to three equivalent Ba(1) and one V(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one V(1) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(2), and one Zn(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaV2ZnO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   7.556
_cell_length_c   15.429
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   648.601
_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  0.647  0.290  1.0
  Ba  Ba1  1  0.750  0.353  0.710  1.0
  Ba  Ba2  1  0.750  0.147  0.210  1.0
  Ba  Ba3  1  0.250  0.853  0.790  1.0
  V  V4  1  0.250  0.306  0.057  1.0
  V  V5  1  0.750  0.694  0.943  1.0
  V  V6  1  0.750  0.806  0.443  1.0
  V  V7  1  0.250  0.194  0.557  1.0
  V  V8  1  0.250  0.172  0.359  1.0
  V  V9  1  0.750  0.828  0.641  1.0
  V  V10  1  0.750  0.672  0.141  1.0
  V  V11  1  0.250  0.328  0.859  1.0
  Zn  Zn12  1  0.250  0.851  0.048  1.0
  Zn  Zn13  1  0.750  0.149  0.952  1.0
  Zn  Zn14  1  0.750  0.351  0.452  1.0
  Zn  Zn15  1  0.250  0.649  0.548  1.0
  O  O16  1  0.998  0.308  0.356  1.0
  O  O17  1  0.002  0.692  0.644  1.0
  O  O18  1  0.002  0.808  0.144  1.0
  O  O19  1  0.498  0.692  0.644  1.0
  O  O20  1  0.998  0.192  0.856  1.0
  O  O21  1  0.502  0.308  0.356  1.0
  O  O22  1  0.502  0.192  0.856  1.0
  O  O23  1  0.498  0.808  0.144  1.0
  O  O24  1  0.998  0.169  0.050  1.0
  O  O25  1  0.002  0.831  0.950  1.0
  O  O26  1  0.002  0.669  0.450  1.0
  O  O27  1  0.498  0.831  0.950  1.0
  O  O28  1  0.998  0.331  0.550  1.0
  O  O29  1  0.502  0.169  0.050  1.0
  O  O30  1  0.502  0.331  0.550  1.0
  O  O31  1  0.498  0.669  0.450  1.0
  O  O32  1  0.250  0.051  0.461  1.0
  O  O33  1  0.750  0.949  0.539  1.0
  O  O34  1  0.750  0.551  0.039  1.0
  O  O35  1  0.250  0.449  0.961  1.0
  O  O36  1  0.250  0.041  0.270  1.0
  O  O37  1  0.750  0.959  0.730  1.0
  O  O38  1  0.750  0.541  0.230  1.0
  O  O39  1  0.250  0.459  0.770  1.0
  O  O40  1  0.250  0.418  0.151  1.0
  O  O41  1  0.750  0.582  0.849  1.0
  O  O42  1  0.750  0.918  0.349  1.0
  O  O43  1  0.250  0.082  0.651  1.0
[/CIF]
.