The material described by VCd2PO7 crystallizes in the monoclinic P2_1 space group. V(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-61°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CdO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with three equivalent Cd(2)O6 octahedra. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CdO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with three equivalent Cd(1)O6 octahedra. P(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-60°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one Cd(1), and one Cd(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one Cd(1), and one Cd(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one P(1) atom. is represented by the CIF card [CIF]
data_VCd2PO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.850
_cell_length_b   5.755
_cell_length_c   11.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.454
_symmetry_Int_Tables_number   1
_cell_volume   304.759
_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  0.641  0.853  0.893  1.0
  V  V1  1  0.359  0.647  0.393  1.0
  Cd  Cd2  1  0.109  0.910  0.651  1.0
  Cd  Cd3  1  0.891  0.590  0.151  1.0
  Cd  Cd4  1  0.888  0.096  0.347  1.0
  Cd  Cd5  1  0.112  0.404  0.847  1.0
  P  P6  1  0.351  0.154  0.112  1.0
  P  P7  1  0.649  0.346  0.612  1.0
  O  O8  1  0.893  0.037  0.818  1.0
  O  O9  1  0.107  0.463  0.318  1.0
  O  O10  1  0.132  0.977  0.176  1.0
  O  O11  1  0.868  0.523  0.676  1.0
  O  O12  1  0.796  0.626  0.955  1.0
  O  O13  1  0.204  0.874  0.455  1.0
  O  O14  1  0.220  0.353  0.048  1.0
  O  O15  1  0.780  0.147  0.548  1.0
  O  O16  1  0.486  0.012  0.009  1.0
  O  O17  1  0.514  0.488  0.509  1.0
  O  O18  1  0.383  0.739  0.794  1.0
  O  O19  1  0.617  0.761  0.294  1.0
  O  O20  1  0.591  0.254  0.197  1.0
  O  O21  1  0.409  0.246  0.697  1.0
[/CIF]
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The material described by VCd2PO7 crystallizes in the monoclinic P2_1 space group. V(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-61°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CdO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with three equivalent Cd(2)O6 octahedra. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CdO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with three equivalent Cd(1)O6 octahedra. P(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-60°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one Cd(1), and one Cd(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one Cd(1), and one Cd(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one P(1) atom. is represented by the CIF card [CIF]
data_VCd2PO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.850
_cell_length_b   5.755
_cell_length_c   11.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.454
_symmetry_Int_Tables_number   1
_cell_volume   304.759
_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  0.641  0.853  0.893  1.0
  V  V1  1  0.359  0.647  0.393  1.0
  Cd  Cd2  1  0.109  0.910  0.651  1.0
  Cd  Cd3  1  0.891  0.590  0.151  1.0
  Cd  Cd4  1  0.888  0.096  0.347  1.0
  Cd  Cd5  1  0.112  0.404  0.847  1.0
  P  P6  1  0.351  0.154  0.112  1.0
  P  P7  1  0.649  0.346  0.612  1.0
  O  O8  1  0.893  0.037  0.818  1.0
  O  O9  1  0.107  0.463  0.318  1.0
  O  O10  1  0.132  0.977  0.176  1.0
  O  O11  1  0.868  0.523  0.676  1.0
  O  O12  1  0.796  0.626  0.955  1.0
  O  O13  1  0.204  0.874  0.455  1.0
  O  O14  1  0.220  0.353  0.048  1.0
  O  O15  1  0.780  0.147  0.548  1.0
  O  O16  1  0.486  0.012  0.009  1.0
  O  O17  1  0.514  0.488  0.509  1.0
  O  O18  1  0.383  0.739  0.794  1.0
  O  O19  1  0.617  0.761  0.294  1.0
  O  O20  1  0.591  0.254  0.197  1.0
  O  O21  1  0.409  0.246  0.697  1.0
[/CIF]
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