The compound described by CaV2P2(H4O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(5), one O(6), and one O(8) atom. 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(3), one O(4), one O(5), and one O(6) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(10), one O(2), one O(4), and one O(9) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(11), one O(3), one O(5), and one O(8) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(14) and one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(12) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(13) and one O(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(14) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(14) and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ca(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one P(1), and one H(5) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ca(1), one V(1), one H(1), and one H(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one V(2), one P(2), and one H(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(1), one V(2), one H(3), and one H(4) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Ca(1), one H(5), and one H(6) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one Ca(1), one H(1), one H(7), and one H(8) atom. is represented by the CIF card [CIF]
data_CaV2P2(H4O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.457
_cell_length_c   6.751
_cell_angle_alpha   92.977
_cell_angle_beta   109.063
_cell_angle_gamma   90.116
_symmetry_Int_Tables_number   1
_cell_volume   264.202
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.084  0.355  0.494  1.0
  V  V1  1  0.146  0.652  0.057  1.0
  V  V2  1  0.577  0.147  0.884  1.0
  P  P3  1  0.608  0.652  0.964  1.0
  P  P4  1  0.107  0.153  0.984  1.0
  H  H5  1  0.107  0.785  0.430  1.0
  H  H6  1  0.352  0.728  0.555  1.0
  H  H7  1  0.536  0.248  0.466  1.0
  H  H8  1  0.372  0.056  0.376  1.0
  H  H9  1  0.622  0.529  0.342  1.0
  H  H10  1  0.692  0.510  0.595  1.0
  H  H11  1  0.831  0.961  0.489  1.0
  H  H12  1  0.072  0.998  0.639  1.0
  O  O13  1  0.079  0.609  0.801  1.0
  O  O14  1  0.479  0.642  0.124  1.0
  O  O15  1  0.185  0.963  0.118  1.0
  O  O16  1  0.853  0.671  0.098  1.0
  O  O17  1  0.144  0.347  0.139  1.0
  O  O18  1  0.225  0.680  0.430  1.0
  O  O19  1  0.663  0.162  0.140  1.0
  O  O20  1  0.242  0.172  0.830  1.0
  O  O21  1  0.531  0.834  0.816  1.0
  O  O22  1  0.561  0.453  0.813  1.0
  O  O23  1  0.867  0.131  0.836  1.0
  O  O24  1  0.434  0.151  0.503  1.0
  O  O25  1  0.713  0.451  0.466  1.0
  O  O26  1  0.981  0.982  0.488  1.0
[/CIF]
.
The compound described by CaV2P2(H4O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(5), one O(6), and one O(8) atom. 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(3), one O(4), one O(5), and one O(6) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(10), one O(2), one O(4), and one O(9) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(11), one O(3), one O(5), and one O(8) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(14) and one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(12) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(13) and one O(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(14) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(14) and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ca(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one P(1), and one H(5) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ca(1), one V(1), one H(1), and one H(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one V(2), one P(2), and one H(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(1), one V(2), one H(3), and one H(4) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Ca(1), one H(5), and one H(6) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one Ca(1), one H(1), one H(7), and one H(8) atom. is represented by the CIF card [CIF]
data_CaV2P2(H4O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.457
_cell_length_c   6.751
_cell_angle_alpha   92.977
_cell_angle_beta   109.063
_cell_angle_gamma   90.116
_symmetry_Int_Tables_number   1
_cell_volume   264.202
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.084  0.355  0.494  1.0
  V  V1  1  0.146  0.652  0.057  1.0
  V  V2  1  0.577  0.147  0.884  1.0
  P  P3  1  0.608  0.652  0.964  1.0
  P  P4  1  0.107  0.153  0.984  1.0
  H  H5  1  0.107  0.785  0.430  1.0
  H  H6  1  0.352  0.728  0.555  1.0
  H  H7  1  0.536  0.248  0.466  1.0
  H  H8  1  0.372  0.056  0.376  1.0
  H  H9  1  0.622  0.529  0.342  1.0
  H  H10  1  0.692  0.510  0.595  1.0
  H  H11  1  0.831  0.961  0.489  1.0
  H  H12  1  0.072  0.998  0.639  1.0
  O  O13  1  0.079  0.609  0.801  1.0
  O  O14  1  0.479  0.642  0.124  1.0
  O  O15  1  0.185  0.963  0.118  1.0
  O  O16  1  0.853  0.671  0.098  1.0
  O  O17  1  0.144  0.347  0.139  1.0
  O  O18  1  0.225  0.680  0.430  1.0
  O  O19  1  0.663  0.162  0.140  1.0
  O  O20  1  0.242  0.172  0.830  1.0
  O  O21  1  0.531  0.834  0.816  1.0
  O  O22  1  0.561  0.453  0.813  1.0
  O  O23  1  0.867  0.131  0.836  1.0
  O  O24  1  0.434  0.151  0.503  1.0
  O  O25  1  0.713  0.451  0.466  1.0
  O  O26  1  0.981  0.982  0.488  1.0
[/CIF]
.