The crystal structure described by CsVH12(C2O7)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(21), two equivalent O(24), two equivalent O(9), and four equivalent O(25) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(10), one O(12), one O(21), one O(22), one O(23), one O(24), two equivalent O(26), and two equivalent O(28) atoms. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(22), two equivalent O(23), and four equivalent O(27) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(14), one O(15), one O(18), one O(19), one O(2), and one O(3) atom. In the second V site, V(2) is bonded in an octahedral geometry to one O(1), one O(13), one O(16), one O(17), one O(20), and one O(4) atom. There are four inequivalent C sites. In the first C site, C(1,5) is bonded in a distorted bent 120 degrees geometry to one O(13) and one O(21) atom. In the second C site, C(2,6) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(22) atom. In the third C site, C(3,7) is bonded in a distorted bent 120 degrees geometry to one O(15) and one O(23) atom. In the fourth C site, C(4,8) is bonded in a distorted bent 120 degrees geometry to one O(16) and one O(24) atom. There are twenty-three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(7) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(4) and one O(8) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(1) and one O(9) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(10) and one O(2) atom. In the seventh H site, H(7) is bonded in a distorted linear geometry to one O(11) and one O(3) atom. In the eighth H site, H(8) is bonded in a distorted linear geometry to one O(12) and one O(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(7) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(8) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(5) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(6) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(7) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(8) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(9) atom. In the eighteenth H site, H(18,21) is bonded in a single-bond geometry to one O(10) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(11) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(12) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one O(11) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one O(12) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one O(9) atom. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one H(1), and one H(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one H(2), and one H(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one H(3), and one H(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one H(4), and one H(8) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one H(1), one H(13), and one H(9) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one H(10), one H(14), and one H(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one H(11), one H(15), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one H(12), one H(16), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one H(17), one H(24), and one H(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2); one H(6); and two equivalent H(18,21) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cs(3), one H(19), one H(22), and one H(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2), one H(20), one H(23), and one H(8) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(1,5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2,6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3,7) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(4,8) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(1,5) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2,6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3,7) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(4,8) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one Cs(1); one Cs(2); and one C(1,5) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one Cs(2); one Cs(3); and one C(2,6) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one Cs(2); one Cs(3); and one C(3,7) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one Cs(1); one Cs(2); and one C(4,8) atom. In the twenty-fifth O site, O(25) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(1,5) atom. In the twenty-sixth O site, O(26) is bonded in a single-bond geometry to two equivalent Cs(2) and one C(2,6) atom. In the twenty-seventh O site, O(27) is bonded in a single-bond geometry to two equivalent Cs(3) and one C(3,7) atom. In the twenty-eighth O site, O(28) is bonded in a single-bond geometry to two equivalent Cs(2) and one C(4,8) atom. is represented by the CIF file [CIF]
data_CsVH12(C2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.025
_cell_length_b   6.029
_cell_length_c   10.618
_cell_angle_alpha   80.395
_cell_angle_beta   80.408
_cell_angle_gamma   76.990
_symmetry_Int_Tables_number   1
_cell_volume   367.168
_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
  C  C0  1  0.468  0.260  0.758  1.0
  C  C1  1  0.261  0.468  0.758  1.0
  C  C2  1  0.532  0.740  0.242  1.0
  C  C3  1  0.739  0.532  0.242  1.0
  Cs  Cs4  1  1.000  1.000  1.000  1.0
  H  H5  1  0.294  0.294  0.362  1.0
  H  H6  1  0.706  0.706  0.638  1.0
  H  H7  1  0.210  0.210  0.522  1.0
  H  H8  1  0.790  0.790  0.478  1.0
  H  H9  1  0.372  0.159  0.181  1.0
  H  H10  1  0.159  0.372  0.181  1.0
  H  H11  1  0.628  0.841  0.819  1.0
  H  H12  1  0.841  0.628  0.819  1.0
  H  H13  1  0.118  0.905  0.647  1.0
  H  H14  1  0.905  0.117  0.647  1.0
  H  H15  1  0.882  0.095  0.353  1.0
  H  H16  1  0.095  0.883  0.353  1.0
  O  O17  1  0.304  0.305  0.456  1.0
  O  O18  1  0.696  0.696  0.544  1.0
  O  O19  1  0.309  0.309  0.214  1.0
  O  O20  1  0.691  0.691  0.786  1.0
  O  O21  1  0.074  0.073  0.646  1.0
  O  O22  1  0.926  0.927  0.354  1.0
  O  O23  1  0.604  0.253  0.649  1.0
  O  O24  1  0.254  0.603  0.649  1.0
  O  O25  1  0.396  0.747  0.351  1.0
  O  O26  1  0.746  0.396  0.351  1.0
  O  O27  1  0.491  0.116  0.856  1.0
  O  O28  1  0.117  0.491  0.856  1.0
  O  O29  1  0.508  0.884  0.144  1.0
  O  O30  1  0.883  0.509  0.144  1.0
  V  V31  1  0.500  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by CsVH12(C2O7)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(21), two equivalent O(24), two equivalent O(9), and four equivalent O(25) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(10), one O(12), one O(21), one O(22), one O(23), one O(24), two equivalent O(26), and two equivalent O(28) atoms. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(22), two equivalent O(23), and four equivalent O(27) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(14), one O(15), one O(18), one O(19), one O(2), and one O(3) atom. In the second V site, V(2) is bonded in an octahedral geometry to one O(1), one O(13), one O(16), one O(17), one O(20), and one O(4) atom. There are four inequivalent C sites. In the first C site, C(1,5) is bonded in a distorted bent 120 degrees geometry to one O(13) and one O(21) atom. In the second C site, C(2,6) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(22) atom. In the third C site, C(3,7) is bonded in a distorted bent 120 degrees geometry to one O(15) and one O(23) atom. In the fourth C site, C(4,8) is bonded in a distorted bent 120 degrees geometry to one O(16) and one O(24) atom. There are twenty-three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(7) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(4) and one O(8) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(1) and one O(9) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(10) and one O(2) atom. In the seventh H site, H(7) is bonded in a distorted linear geometry to one O(11) and one O(3) atom. In the eighth H site, H(8) is bonded in a distorted linear geometry to one O(12) and one O(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(7) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(8) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(5) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(6) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(7) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(8) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(9) atom. In the eighteenth H site, H(18,21) is bonded in a single-bond geometry to one O(10) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(11) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(12) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one O(11) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one O(12) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one O(9) atom. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one H(1), and one H(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one H(2), and one H(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one H(3), and one H(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one H(4), and one H(8) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one H(1), one H(13), and one H(9) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one H(10), one H(14), and one H(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one H(11), one H(15), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one H(12), one H(16), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one H(17), one H(24), and one H(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2); one H(6); and two equivalent H(18,21) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cs(3), one H(19), one H(22), and one H(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2), one H(20), one H(23), and one H(8) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(1,5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2,6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3,7) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(4,8) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(1,5) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2,6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3,7) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(4,8) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one Cs(1); one Cs(2); and one C(1,5) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one Cs(2); one Cs(3); and one C(2,6) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one Cs(2); one Cs(3); and one C(3,7) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one Cs(1); one Cs(2); and one C(4,8) atom. In the twenty-fifth O site, O(25) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(1,5) atom. In the twenty-sixth O site, O(26) is bonded in a single-bond geometry to two equivalent Cs(2) and one C(2,6) atom. In the twenty-seventh O site, O(27) is bonded in a single-bond geometry to two equivalent Cs(3) and one C(3,7) atom. In the twenty-eighth O site, O(28) is bonded in a single-bond geometry to two equivalent Cs(2) and one C(4,8) atom. is represented by the CIF file [CIF]
data_CsVH12(C2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.025
_cell_length_b   6.029
_cell_length_c   10.618
_cell_angle_alpha   80.395
_cell_angle_beta   80.408
_cell_angle_gamma   76.990
_symmetry_Int_Tables_number   1
_cell_volume   367.168
_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
  C  C0  1  0.468  0.260  0.758  1.0
  C  C1  1  0.261  0.468  0.758  1.0
  C  C2  1  0.532  0.740  0.242  1.0
  C  C3  1  0.739  0.532  0.242  1.0
  Cs  Cs4  1  1.000  1.000  1.000  1.0
  H  H5  1  0.294  0.294  0.362  1.0
  H  H6  1  0.706  0.706  0.638  1.0
  H  H7  1  0.210  0.210  0.522  1.0
  H  H8  1  0.790  0.790  0.478  1.0
  H  H9  1  0.372  0.159  0.181  1.0
  H  H10  1  0.159  0.372  0.181  1.0
  H  H11  1  0.628  0.841  0.819  1.0
  H  H12  1  0.841  0.628  0.819  1.0
  H  H13  1  0.118  0.905  0.647  1.0
  H  H14  1  0.905  0.117  0.647  1.0
  H  H15  1  0.882  0.095  0.353  1.0
  H  H16  1  0.095  0.883  0.353  1.0
  O  O17  1  0.304  0.305  0.456  1.0
  O  O18  1  0.696  0.696  0.544  1.0
  O  O19  1  0.309  0.309  0.214  1.0
  O  O20  1  0.691  0.691  0.786  1.0
  O  O21  1  0.074  0.073  0.646  1.0
  O  O22  1  0.926  0.927  0.354  1.0
  O  O23  1  0.604  0.253  0.649  1.0
  O  O24  1  0.254  0.603  0.649  1.0
  O  O25  1  0.396  0.747  0.351  1.0
  O  O26  1  0.746  0.396  0.351  1.0
  O  O27  1  0.491  0.116  0.856  1.0
  O  O28  1  0.117  0.491  0.856  1.0
  O  O29  1  0.508  0.884  0.144  1.0
  O  O30  1  0.883  0.509  0.144  1.0
  V  V31  1  0.500  0.500  0.500  1.0
[/CIF]
.