The material structure described by CsVH12(C2O7)2 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 14-coordinate geometry to one H(5), one H(6), one H(7), one H(8), one O(13), one O(14), two equivalent O(10), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. V(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(7) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(8) atom. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(9) atom. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(6) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(11) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(12) and one O(2) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Cs(1) and one O(11) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Cs(1) and one O(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Cs(1) and one O(12) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one Cs(1) and one O(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(13) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(14) atom. In the twelfth H site, H(12) 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 trigonal planar geometry to one V(1), one H(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one H(2), and one H(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(4) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(4) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one H(1), one H(5), and one H(6) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one H(2), one H(7), and one H(8) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Cs(1), one H(10), and one H(9) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Cs(1), one H(11), and one H(12) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsVH12(C2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.978
_cell_length_b   5.980
_cell_length_c   10.338
_cell_angle_alpha   81.313
_cell_angle_beta   81.346
_cell_angle_gamma   78.108
_symmetry_Int_Tables_number   1
_cell_volume   354.776
_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
  Cs  Cs0  1  0.995  0.006  0.000  1.0
  V  V1  1  0.500  0.498  0.501  1.0
  H  H2  1  0.707  0.703  0.649  1.0
  H  H3  1  0.295  0.288  0.351  1.0
  H  H4  1  0.793  0.789  0.484  1.0
  H  H5  1  0.207  0.203  0.514  1.0
  H  H6  1  0.838  0.625  0.835  1.0
  H  H7  1  0.625  0.837  0.833  1.0
  H  H8  1  0.165  0.378  0.164  1.0
  H  H9  1  0.377  0.165  0.162  1.0
  H  H10  1  0.095  0.887  0.349  1.0
  H  H11  1  0.882  0.097  0.348  1.0
  H  H12  1  0.901  0.114  0.653  1.0
  H  H13  1  0.113  0.902  0.656  1.0
  C  C14  1  0.737  0.530  0.239  1.0
  C  C15  1  0.528  0.734  0.239  1.0
  C  C16  1  0.262  0.466  0.764  1.0
  C  C17  1  0.470  0.261  0.764  1.0
  O  O18  1  0.694  0.697  0.551  1.0
  O  O19  1  0.305  0.297  0.449  1.0
  O  O20  1  0.747  0.396  0.350  1.0
  O  O21  1  0.395  0.744  0.350  1.0
  O  O22  1  0.250  0.598  0.653  1.0
  O  O23  1  0.604  0.254  0.654  1.0
  O  O24  1  0.877  0.504  0.138  1.0
  O  O25  1  0.503  0.874  0.138  1.0
  O  O26  1  0.124  0.493  0.866  1.0
  O  O27  1  0.496  0.120  0.865  1.0
  O  O28  1  0.688  0.686  0.800  1.0
  O  O29  1  0.317  0.316  0.196  1.0
  O  O30  1  0.926  0.928  0.350  1.0
  O  O31  1  0.070  0.071  0.652  1.0
[/CIF]
.
The material structure described by CsVH12(C2O7)2 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 14-coordinate geometry to one H(5), one H(6), one H(7), one H(8), one O(13), one O(14), two equivalent O(10), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. V(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(7) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(8) atom. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(9) atom. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(6) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(11) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(12) and one O(2) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Cs(1) and one O(11) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Cs(1) and one O(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Cs(1) and one O(12) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one Cs(1) and one O(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(13) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(14) atom. In the twelfth H site, H(12) 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 trigonal planar geometry to one V(1), one H(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one H(2), and one H(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(4) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(4) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one H(1), one H(5), and one H(6) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one H(2), one H(7), and one H(8) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Cs(1), one H(10), and one H(9) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Cs(1), one H(11), and one H(12) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsVH12(C2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.978
_cell_length_b   5.980
_cell_length_c   10.338
_cell_angle_alpha   81.313
_cell_angle_beta   81.346
_cell_angle_gamma   78.108
_symmetry_Int_Tables_number   1
_cell_volume   354.776
_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
  Cs  Cs0  1  0.995  0.006  0.000  1.0
  V  V1  1  0.500  0.498  0.501  1.0
  H  H2  1  0.707  0.703  0.649  1.0
  H  H3  1  0.295  0.288  0.351  1.0
  H  H4  1  0.793  0.789  0.484  1.0
  H  H5  1  0.207  0.203  0.514  1.0
  H  H6  1  0.838  0.625  0.835  1.0
  H  H7  1  0.625  0.837  0.833  1.0
  H  H8  1  0.165  0.378  0.164  1.0
  H  H9  1  0.377  0.165  0.162  1.0
  H  H10  1  0.095  0.887  0.349  1.0
  H  H11  1  0.882  0.097  0.348  1.0
  H  H12  1  0.901  0.114  0.653  1.0
  H  H13  1  0.113  0.902  0.656  1.0
  C  C14  1  0.737  0.530  0.239  1.0
  C  C15  1  0.528  0.734  0.239  1.0
  C  C16  1  0.262  0.466  0.764  1.0
  C  C17  1  0.470  0.261  0.764  1.0
  O  O18  1  0.694  0.697  0.551  1.0
  O  O19  1  0.305  0.297  0.449  1.0
  O  O20  1  0.747  0.396  0.350  1.0
  O  O21  1  0.395  0.744  0.350  1.0
  O  O22  1  0.250  0.598  0.653  1.0
  O  O23  1  0.604  0.254  0.654  1.0
  O  O24  1  0.877  0.504  0.138  1.0
  O  O25  1  0.503  0.874  0.138  1.0
  O  O26  1  0.124  0.493  0.866  1.0
  O  O27  1  0.496  0.120  0.865  1.0
  O  O28  1  0.688  0.686  0.800  1.0
  O  O29  1  0.317  0.316  0.196  1.0
  O  O30  1  0.926  0.928  0.350  1.0
  O  O31  1  0.070  0.071  0.652  1.0
[/CIF]
.