The compound described by MgV2P2(H4O7)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(13), one O(14), one O(3), one O(8), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O5 trigonal bipyramid and  a cornercorner with one V(2)O5 trigonal bipyramid. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(2), one O(5), one O(6), and one O(7) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedra are not tilted. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(4), and one O(9) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with two equivalent V(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with two equivalent V(2)O5 trigonal bipyramids. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(8) 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(13) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(1), and one H(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one V(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(5), and one H(6) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Mg(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mg(1) and one V(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(2), and one H(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(3), and one H(7) atom. is represented by the CIF card [CIF]
data_MgV2P2(H4O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.367
_cell_length_c   8.084
_cell_angle_alpha   112.811
_cell_angle_beta   112.934
_cell_angle_gamma   90.351
_symmetry_Int_Tables_number   1
_cell_volume   272.758
_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
  Mg  Mg0  1  0.842  0.837  0.681  1.0
  V  V1  1  0.565  0.566  0.128  1.0
  V  V2  1  0.118  0.121  0.239  1.0
  P  P3  1  0.091  0.593  0.182  1.0
  P  P4  1  0.591  0.094  0.184  1.0
  H  H5  1  0.536  0.730  0.801  1.0
  H  H6  1  0.607  0.140  0.565  1.0
  H  H7  1  0.157  0.947  0.573  1.0
  H  H8  1  0.419  0.604  0.563  1.0
  H  H9  1  0.965  0.421  0.580  1.0
  H  H10  1  0.098  0.561  0.816  1.0
  H  H11  1  0.263  0.079  0.810  1.0
  H  H12  1  0.732  0.260  0.802  1.0
  O  O13  1  0.142  0.856  0.319  1.0
  O  O14  1  0.539  0.830  0.047  1.0
  O  O15  1  0.568  0.658  0.683  1.0
  O  O16  1  0.855  0.179  0.320  1.0
  O  O17  1  0.827  0.507  0.045  1.0
  O  O18  1  0.220  0.544  0.046  1.0
  O  O19  1  0.504  0.222  0.047  1.0
  O  O20  1  0.036  0.576  0.690  1.0
  O  O21  1  0.999  0.999  0.996  1.0
  O  O22  1  0.463  0.144  0.321  1.0
  O  O23  1  0.177  0.464  0.318  1.0
  O  O24  1  0.687  0.685  0.371  1.0
  O  O25  1  0.662  0.110  0.684  1.0
  O  O26  1  0.118  0.022  0.686  1.0
[/CIF]
.
The compound described by MgV2P2(H4O7)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(13), one O(14), one O(3), one O(8), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O5 trigonal bipyramid and  a cornercorner with one V(2)O5 trigonal bipyramid. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(2), one O(5), one O(6), and one O(7) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedra are not tilted. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(4), and one O(9) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with two equivalent V(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with two equivalent V(2)O5 trigonal bipyramids. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(8) 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(13) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(1), and one H(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one V(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(5), and one H(6) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Mg(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mg(1) and one V(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(2), and one H(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(3), and one H(7) atom. is represented by the CIF card [CIF]
data_MgV2P2(H4O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.367
_cell_length_c   8.084
_cell_angle_alpha   112.811
_cell_angle_beta   112.934
_cell_angle_gamma   90.351
_symmetry_Int_Tables_number   1
_cell_volume   272.758
_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
  Mg  Mg0  1  0.842  0.837  0.681  1.0
  V  V1  1  0.565  0.566  0.128  1.0
  V  V2  1  0.118  0.121  0.239  1.0
  P  P3  1  0.091  0.593  0.182  1.0
  P  P4  1  0.591  0.094  0.184  1.0
  H  H5  1  0.536  0.730  0.801  1.0
  H  H6  1  0.607  0.140  0.565  1.0
  H  H7  1  0.157  0.947  0.573  1.0
  H  H8  1  0.419  0.604  0.563  1.0
  H  H9  1  0.965  0.421  0.580  1.0
  H  H10  1  0.098  0.561  0.816  1.0
  H  H11  1  0.263  0.079  0.810  1.0
  H  H12  1  0.732  0.260  0.802  1.0
  O  O13  1  0.142  0.856  0.319  1.0
  O  O14  1  0.539  0.830  0.047  1.0
  O  O15  1  0.568  0.658  0.683  1.0
  O  O16  1  0.855  0.179  0.320  1.0
  O  O17  1  0.827  0.507  0.045  1.0
  O  O18  1  0.220  0.544  0.046  1.0
  O  O19  1  0.504  0.222  0.047  1.0
  O  O20  1  0.036  0.576  0.690  1.0
  O  O21  1  0.999  0.999  0.996  1.0
  O  O22  1  0.463  0.144  0.321  1.0
  O  O23  1  0.177  0.464  0.318  1.0
  O  O24  1  0.687  0.685  0.371  1.0
  O  O25  1  0.662  0.110  0.684  1.0
  O  O26  1  0.118  0.022  0.686  1.0
[/CIF]
.