The compound described by CsVOPO4 crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 9-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(4), and three equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and  an edgeedge with one V(1)O5 trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cs(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.570
_cell_length_b   7.819
_cell_length_c   9.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.255
_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
  Cs  Cs0  1  0.129  0.634  0.337  1.0
  Cs  Cs1  1  0.371  0.366  0.837  1.0
  Cs  Cs2  1  0.629  0.866  0.663  1.0
  Cs  Cs3  1  0.871  0.134  0.163  1.0
  V  V4  1  0.113  0.073  0.542  1.0
  V  V5  1  0.387  0.927  0.042  1.0
  V  V6  1  0.613  0.427  0.458  1.0
  V  V7  1  0.887  0.573  0.958  1.0
  P  P8  1  0.342  0.130  0.346  1.0
  P  P9  1  0.158  0.870  0.846  1.0
  P  P10  1  0.842  0.370  0.654  1.0
  P  P11  1  0.658  0.630  0.154  1.0
  O  O12  1  0.341  0.990  0.460  1.0
  O  O13  1  0.159  0.010  0.960  1.0
  O  O14  1  0.841  0.510  0.540  1.0
  O  O15  1  0.659  0.490  0.040  1.0
  O  O16  1  0.949  0.961  0.479  1.0
  O  O17  1  0.551  0.039  0.979  1.0
  O  O18  1  0.449  0.539  0.521  1.0
  O  O19  1  0.051  0.461  0.021  1.0
  O  O20  1  0.013  0.262  0.655  1.0
  O  O21  1  0.487  0.738  0.155  1.0
  O  O22  1  0.513  0.238  0.345  1.0
  O  O23  1  0.987  0.762  0.845  1.0
  O  O24  1  0.177  0.239  0.392  1.0
  O  O25  1  0.323  0.761  0.892  1.0
  O  O26  1  0.677  0.261  0.608  1.0
  O  O27  1  0.823  0.739  0.108  1.0
  O  O28  1  0.191  0.950  0.707  1.0
  O  O29  1  0.309  0.050  0.207  1.0
  O  O30  1  0.691  0.550  0.293  1.0
  O  O31  1  0.809  0.450  0.793  1.0
[/CIF]
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The compound described by CsVOPO4 crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 9-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(4), and three equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and  an edgeedge with one V(1)O5 trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cs(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.570
_cell_length_b   7.819
_cell_length_c   9.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.255
_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
  Cs  Cs0  1  0.129  0.634  0.337  1.0
  Cs  Cs1  1  0.371  0.366  0.837  1.0
  Cs  Cs2  1  0.629  0.866  0.663  1.0
  Cs  Cs3  1  0.871  0.134  0.163  1.0
  V  V4  1  0.113  0.073  0.542  1.0
  V  V5  1  0.387  0.927  0.042  1.0
  V  V6  1  0.613  0.427  0.458  1.0
  V  V7  1  0.887  0.573  0.958  1.0
  P  P8  1  0.342  0.130  0.346  1.0
  P  P9  1  0.158  0.870  0.846  1.0
  P  P10  1  0.842  0.370  0.654  1.0
  P  P11  1  0.658  0.630  0.154  1.0
  O  O12  1  0.341  0.990  0.460  1.0
  O  O13  1  0.159  0.010  0.960  1.0
  O  O14  1  0.841  0.510  0.540  1.0
  O  O15  1  0.659  0.490  0.040  1.0
  O  O16  1  0.949  0.961  0.479  1.0
  O  O17  1  0.551  0.039  0.979  1.0
  O  O18  1  0.449  0.539  0.521  1.0
  O  O19  1  0.051  0.461  0.021  1.0
  O  O20  1  0.013  0.262  0.655  1.0
  O  O21  1  0.487  0.738  0.155  1.0
  O  O22  1  0.513  0.238  0.345  1.0
  O  O23  1  0.987  0.762  0.845  1.0
  O  O24  1  0.177  0.239  0.392  1.0
  O  O25  1  0.323  0.761  0.892  1.0
  O  O26  1  0.677  0.261  0.608  1.0
  O  O27  1  0.823  0.739  0.108  1.0
  O  O28  1  0.191  0.950  0.707  1.0
  O  O29  1  0.309  0.050  0.207  1.0
  O  O30  1  0.691  0.550  0.293  1.0
  O  O31  1  0.809  0.450  0.793  1.0
[/CIF]
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