The material described by V3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second As site, As(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(2), and one As(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Zn(2), and one As(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one V(1), one Zn(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(2) and one As(1) atom. is represented by the CIF card [CIF]
data_V3Zn3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   9.069
_cell_length_c   15.518
_cell_angle_alpha   71.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   691.252
_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
  V  V0  1  0.441  0.241  0.619  1.0
  V  V1  1  0.559  0.759  0.381  1.0
  V  V2  1  0.941  0.759  0.881  1.0
  V  V3  1  0.059  0.241  0.119  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  Zn  Zn6  1  0.546  0.279  0.225  1.0
  Zn  Zn7  1  0.046  0.721  0.275  1.0
  Zn  Zn8  1  0.454  0.721  0.775  1.0
  Zn  Zn9  1  0.954  0.279  0.725  1.0
  Zn  Zn10  1  0.500  0.000  0.500  1.0
  Zn  Zn11  1  0.000  0.000  0.000  1.0
  As  As12  1  0.989  0.053  0.346  1.0
  As  As13  1  0.531  0.386  0.402  1.0
  As  As14  1  0.031  0.614  0.098  1.0
  As  As15  1  0.969  0.386  0.902  1.0
  As  As16  1  0.011  0.947  0.654  1.0
  As  As17  1  0.469  0.614  0.598  1.0
  As  As18  1  0.511  0.053  0.846  1.0
  As  As19  1  0.489  0.947  0.154  1.0
  O  O20  1  0.417  0.790  0.257  1.0
  O  O21  1  0.900  0.773  0.001  1.0
  O  O22  1  0.373  0.365  0.308  1.0
  O  O23  1  0.355  0.101  0.183  1.0
  O  O24  1  0.627  0.635  0.692  1.0
  O  O25  1  0.083  0.790  0.757  1.0
  O  O26  1  0.873  0.635  0.192  1.0
  O  O27  1  0.669  0.615  0.889  1.0
  O  O28  1  0.686  0.107  0.923  1.0
  O  O29  1  0.583  0.210  0.743  1.0
  O  O30  1  0.145  0.101  0.683  1.0
  O  O31  1  0.331  0.385  0.111  1.0
  O  O32  1  0.323  0.550  0.422  1.0
  O  O33  1  0.314  0.893  0.077  1.0
  O  O34  1  0.696  0.001  0.625  1.0
  O  O35  1  0.196  0.999  0.875  1.0
  O  O36  1  0.823  0.450  0.078  1.0
  O  O37  1  0.127  0.365  0.808  1.0
  O  O38  1  0.186  0.893  0.577  1.0
  O  O39  1  0.169  0.385  0.611  1.0
  O  O40  1  0.804  0.001  0.125  1.0
  O  O41  1  0.304  0.999  0.375  1.0
  O  O42  1  0.100  0.227  0.999  1.0
  O  O43  1  0.400  0.227  0.499  1.0
  O  O44  1  0.677  0.450  0.578  1.0
  O  O45  1  0.917  0.210  0.243  1.0
  O  O46  1  0.645  0.899  0.817  1.0
  O  O47  1  0.814  0.107  0.423  1.0
  O  O48  1  0.600  0.773  0.501  1.0
  O  O49  1  0.831  0.615  0.389  1.0
  O  O50  1  0.177  0.550  0.922  1.0
  O  O51  1  0.855  0.899  0.317  1.0
[/CIF]
.
The material described by V3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second As site, As(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(2), and one As(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Zn(2), and one As(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one V(1), one Zn(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(2) and one As(1) atom. is represented by the CIF card [CIF]
data_V3Zn3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   9.069
_cell_length_c   15.518
_cell_angle_alpha   71.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   691.252
_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
  V  V0  1  0.441  0.241  0.619  1.0
  V  V1  1  0.559  0.759  0.381  1.0
  V  V2  1  0.941  0.759  0.881  1.0
  V  V3  1  0.059  0.241  0.119  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  Zn  Zn6  1  0.546  0.279  0.225  1.0
  Zn  Zn7  1  0.046  0.721  0.275  1.0
  Zn  Zn8  1  0.454  0.721  0.775  1.0
  Zn  Zn9  1  0.954  0.279  0.725  1.0
  Zn  Zn10  1  0.500  0.000  0.500  1.0
  Zn  Zn11  1  0.000  0.000  0.000  1.0
  As  As12  1  0.989  0.053  0.346  1.0
  As  As13  1  0.531  0.386  0.402  1.0
  As  As14  1  0.031  0.614  0.098  1.0
  As  As15  1  0.969  0.386  0.902  1.0
  As  As16  1  0.011  0.947  0.654  1.0
  As  As17  1  0.469  0.614  0.598  1.0
  As  As18  1  0.511  0.053  0.846  1.0
  As  As19  1  0.489  0.947  0.154  1.0
  O  O20  1  0.417  0.790  0.257  1.0
  O  O21  1  0.900  0.773  0.001  1.0
  O  O22  1  0.373  0.365  0.308  1.0
  O  O23  1  0.355  0.101  0.183  1.0
  O  O24  1  0.627  0.635  0.692  1.0
  O  O25  1  0.083  0.790  0.757  1.0
  O  O26  1  0.873  0.635  0.192  1.0
  O  O27  1  0.669  0.615  0.889  1.0
  O  O28  1  0.686  0.107  0.923  1.0
  O  O29  1  0.583  0.210  0.743  1.0
  O  O30  1  0.145  0.101  0.683  1.0
  O  O31  1  0.331  0.385  0.111  1.0
  O  O32  1  0.323  0.550  0.422  1.0
  O  O33  1  0.314  0.893  0.077  1.0
  O  O34  1  0.696  0.001  0.625  1.0
  O  O35  1  0.196  0.999  0.875  1.0
  O  O36  1  0.823  0.450  0.078  1.0
  O  O37  1  0.127  0.365  0.808  1.0
  O  O38  1  0.186  0.893  0.577  1.0
  O  O39  1  0.169  0.385  0.611  1.0
  O  O40  1  0.804  0.001  0.125  1.0
  O  O41  1  0.304  0.999  0.375  1.0
  O  O42  1  0.100  0.227  0.999  1.0
  O  O43  1  0.400  0.227  0.499  1.0
  O  O44  1  0.677  0.450  0.578  1.0
  O  O45  1  0.917  0.210  0.243  1.0
  O  O46  1  0.645  0.899  0.817  1.0
  O  O47  1  0.814  0.107  0.423  1.0
  O  O48  1  0.600  0.773  0.501  1.0
  O  O49  1  0.831  0.615  0.389  1.0
  O  O50  1  0.177  0.550  0.922  1.0
  O  O51  1  0.855  0.899  0.317  1.0
[/CIF]
.