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(11), one O(12), one O(13), one O(14), one O(3), and one O(6) 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(11), one O(4), one O(6), one O(7), and one O(9) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(3), one O(5), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(7), one O(8), and one O(9) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(11) 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 single-bond geometry to one O(13) and one O(5) 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(10) and one O(14) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 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 V(2), one P(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one P(2), and one H(7) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Ca(1), one V(1), one H(1), and one H(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(1), 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(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   6.397
_cell_length_b   6.429
_cell_length_c   6.668
_cell_angle_alpha   104.487
_cell_angle_beta   93.606
_cell_angle_gamma   89.772
_symmetry_Int_Tables_number   1
_cell_volume   264.962
_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  0.525  0.466  0.156  1.0
  V  V1  1  0.829  0.495  0.694  1.0
  V  V2  1  0.321  0.941  0.526  1.0
  P  P3  1  0.330  0.464  0.620  1.0
  P  P4  1  0.833  0.964  0.602  1.0
  H  H5  1  0.971  0.477  0.096  1.0
  H  H6  1  0.899  0.716  0.177  1.0
  H  H7  1  0.419  0.885  0.057  1.0
  H  H8  1  0.222  0.733  0.014  1.0
  H  H9  1  0.187  0.246  0.237  1.0
  H  H10  1  0.164  0.179  0.985  1.0
  H  H11  1  0.660  0.066  0.270  1.0
  H  H12  1  0.787  0.086  0.078  1.0
  O  O13  1  0.784  0.448  0.442  1.0
  O  O14  1  0.322  0.009  0.778  1.0
  O  O15  1  0.351  0.616  0.473  1.0
  O  O16  1  0.140  0.523  0.753  1.0
  O  O17  1  0.308  0.236  0.468  1.0
  O  O18  1  0.524  0.481  0.775  1.0
  O  O19  1  0.856  0.196  0.738  1.0
  O  O20  1  0.010  0.907  0.447  1.0
  O  O21  1  0.828  0.817  0.752  1.0
  O  O22  1  0.627  0.936  0.456  1.0
  O  O23  1  0.861  0.582  0.071  1.0
  O  O24  1  0.331  0.797  0.123  1.0
  O  O25  1  0.165  0.301  0.109  1.0
  O  O26  1  0.649  0.106  0.134  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(11), one O(12), one O(13), one O(14), one O(3), and one O(6) 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(11), one O(4), one O(6), one O(7), and one O(9) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(3), one O(5), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(7), one O(8), and one O(9) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(11) 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 single-bond geometry to one O(13) and one O(5) 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(10) and one O(14) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 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 V(2), one P(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one P(2), and one H(7) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Ca(1), one V(1), one H(1), and one H(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(1), 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(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   6.397
_cell_length_b   6.429
_cell_length_c   6.668
_cell_angle_alpha   104.487
_cell_angle_beta   93.606
_cell_angle_gamma   89.772
_symmetry_Int_Tables_number   1
_cell_volume   264.962
_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  0.525  0.466  0.156  1.0
  V  V1  1  0.829  0.495  0.694  1.0
  V  V2  1  0.321  0.941  0.526  1.0
  P  P3  1  0.330  0.464  0.620  1.0
  P  P4  1  0.833  0.964  0.602  1.0
  H  H5  1  0.971  0.477  0.096  1.0
  H  H6  1  0.899  0.716  0.177  1.0
  H  H7  1  0.419  0.885  0.057  1.0
  H  H8  1  0.222  0.733  0.014  1.0
  H  H9  1  0.187  0.246  0.237  1.0
  H  H10  1  0.164  0.179  0.985  1.0
  H  H11  1  0.660  0.066  0.270  1.0
  H  H12  1  0.787  0.086  0.078  1.0
  O  O13  1  0.784  0.448  0.442  1.0
  O  O14  1  0.322  0.009  0.778  1.0
  O  O15  1  0.351  0.616  0.473  1.0
  O  O16  1  0.140  0.523  0.753  1.0
  O  O17  1  0.308  0.236  0.468  1.0
  O  O18  1  0.524  0.481  0.775  1.0
  O  O19  1  0.856  0.196  0.738  1.0
  O  O20  1  0.010  0.907  0.447  1.0
  O  O21  1  0.828  0.817  0.752  1.0
  O  O22  1  0.627  0.936  0.456  1.0
  O  O23  1  0.861  0.582  0.071  1.0
  O  O24  1  0.331  0.797  0.123  1.0
  O  O25  1  0.165  0.301  0.109  1.0
  O  O26  1  0.649  0.106  0.134  1.0
[/CIF]
.