The structure described by Li2CaV12O32 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(12), one O(16), one O(17), one O(19), one O(20), and one O(24) atom to form edge-sharing LiO6 octahedra. Ca(1) is bonded to one O(10), one O(23), two equivalent O(18), and two equivalent O(21) atoms to form CaO6 octahedra that share  a cornercorner with one V(8)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are nine inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(16), and two equivalent O(15) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(17), and two equivalent O(15) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(14), one O(15), and one O(18) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(19), one O(2), one O(5), one O(7), and two equivalent O(9) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(1), one O(20), one O(4), one O(8), and two equivalent O(9) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(21), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the seventh V site, V(7) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(22), one O(8), and two equivalent O(6) atoms. In the eighth V site, V(8) is bonded to one O(11), one O(2), one O(23), one O(7), and two equivalent O(6) atoms to form distorted VO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the ninth V site, V(9) is bonded in a 6-coordinate geometry to one O(12), one O(24), one O(3), one O(4), one O(5), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(5) and one V(7) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(4) and one V(8) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(6) and one V(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(9) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(4) and two equivalent V(9) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(6), one V(7), and one V(8) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(4), one V(8), and two equivalent V(6) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one V(5), one V(7), and two equivalent V(6) atoms. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one V(4), one V(5), one V(6), and one V(9) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ca(1), one V(1), and one V(7) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(2) and one V(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(9) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(3) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(3) atoms. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one V(1) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(2) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one V(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(5) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one V(6) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one V(7) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one V(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Li(1) and one V(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CaV12O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.965
_cell_length_b   7.965
_cell_length_c   12.275
_cell_angle_alpha   74.395
_cell_angle_beta   74.395
_cell_angle_gamma   54.233
_symmetry_Int_Tables_number   1
_cell_volume   602.382
_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
  Li  Li0  1  0.371  0.866  0.696  1.0
  Li  Li1  1  0.866  0.371  0.696  1.0
  Ca  Ca2  1  0.127  0.127  0.320  1.0
  V  V3  1  0.303  0.303  0.463  1.0
  V  V4  1  0.799  0.799  0.463  1.0
  V  V5  1  0.197  0.699  0.544  1.0
  V  V6  1  0.699  0.197  0.544  1.0
  V  V7  1  0.974  0.974  0.920  1.0
  V  V8  1  0.473  0.473  0.918  1.0
  V  V9  1  0.525  0.028  0.076  1.0
  V  V10  1  0.028  0.525  0.076  1.0
  V  V11  1  0.417  0.417  0.188  1.0
  V  V12  1  0.906  0.906  0.193  1.0
  V  V13  1  0.086  0.587  0.808  1.0
  V  V14  1  0.587  0.086  0.808  1.0
  O  O15  1  0.512  0.512  0.044  1.0
  O  O16  1  0.007  0.007  0.047  1.0
  O  O17  1  0.988  0.491  0.950  1.0
  O  O18  1  0.491  0.988  0.950  1.0
  O  O19  1  0.369  0.369  0.826  1.0
  O  O20  1  0.869  0.869  0.826  1.0
  O  O21  1  0.130  0.628  0.171  1.0
  O  O22  1  0.628  0.130  0.171  1.0
  O  O23  1  0.815  0.815  0.073  1.0
  O  O24  1  0.319  0.319  0.066  1.0
  O  O25  1  0.682  0.182  0.927  1.0
  O  O26  1  0.182  0.682  0.927  1.0
  O  O27  1  0.289  0.289  0.325  1.0
  O  O28  1  0.785  0.785  0.325  1.0
  O  O29  1  0.216  0.717  0.679  1.0
  O  O30  1  0.717  0.216  0.679  1.0
  O  O31  1  0.408  0.408  0.542  1.0
  O  O32  1  0.903  0.903  0.545  1.0
  O  O33  1  0.093  0.593  0.463  1.0
  O  O34  1  0.593  0.093  0.463  1.0
  O  O35  1  0.190  0.190  0.554  1.0
  O  O36  1  0.688  0.688  0.557  1.0
  O  O37  1  0.295  0.822  0.451  1.0
  O  O38  1  0.822  0.295  0.451  1.0
  O  O39  1  0.078  0.078  0.812  1.0
  O  O40  1  0.576  0.576  0.809  1.0
  O  O41  1  0.406  0.938  0.180  1.0
  O  O42  1  0.938  0.406  0.180  1.0
  O  O43  1  0.487  0.487  0.270  1.0
  O  O44  1  0.980  0.980  0.274  1.0
  O  O45  1  0.016  0.515  0.724  1.0
  O  O46  1  0.515  0.016  0.724  1.0
[/CIF]
.
The structure described by Li2CaV12O32 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(12), one O(16), one O(17), one O(19), one O(20), and one O(24) atom to form edge-sharing LiO6 octahedra. Ca(1) is bonded to one O(10), one O(23), two equivalent O(18), and two equivalent O(21) atoms to form CaO6 octahedra that share  a cornercorner with one V(8)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are nine inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(16), and two equivalent O(15) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(17), and two equivalent O(15) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(14), one O(15), and one O(18) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(19), one O(2), one O(5), one O(7), and two equivalent O(9) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(1), one O(20), one O(4), one O(8), and two equivalent O(9) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(21), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the seventh V site, V(7) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(22), one O(8), and two equivalent O(6) atoms. In the eighth V site, V(8) is bonded to one O(11), one O(2), one O(23), one O(7), and two equivalent O(6) atoms to form distorted VO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the ninth V site, V(9) is bonded in a 6-coordinate geometry to one O(12), one O(24), one O(3), one O(4), one O(5), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(5) and one V(7) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(4) and one V(8) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(6) and one V(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(9) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(4) and two equivalent V(9) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(6), one V(7), and one V(8) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(4), one V(8), and two equivalent V(6) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one V(5), one V(7), and two equivalent V(6) atoms. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one V(4), one V(5), one V(6), and one V(9) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ca(1), one V(1), and one V(7) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(2) and one V(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(9) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(3) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(3) atoms. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one V(1) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(2) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one V(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(5) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one V(6) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one V(7) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one V(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Li(1) and one V(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CaV12O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.965
_cell_length_b   7.965
_cell_length_c   12.275
_cell_angle_alpha   74.395
_cell_angle_beta   74.395
_cell_angle_gamma   54.233
_symmetry_Int_Tables_number   1
_cell_volume   602.382
_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
  Li  Li0  1  0.371  0.866  0.696  1.0
  Li  Li1  1  0.866  0.371  0.696  1.0
  Ca  Ca2  1  0.127  0.127  0.320  1.0
  V  V3  1  0.303  0.303  0.463  1.0
  V  V4  1  0.799  0.799  0.463  1.0
  V  V5  1  0.197  0.699  0.544  1.0
  V  V6  1  0.699  0.197  0.544  1.0
  V  V7  1  0.974  0.974  0.920  1.0
  V  V8  1  0.473  0.473  0.918  1.0
  V  V9  1  0.525  0.028  0.076  1.0
  V  V10  1  0.028  0.525  0.076  1.0
  V  V11  1  0.417  0.417  0.188  1.0
  V  V12  1  0.906  0.906  0.193  1.0
  V  V13  1  0.086  0.587  0.808  1.0
  V  V14  1  0.587  0.086  0.808  1.0
  O  O15  1  0.512  0.512  0.044  1.0
  O  O16  1  0.007  0.007  0.047  1.0
  O  O17  1  0.988  0.491  0.950  1.0
  O  O18  1  0.491  0.988  0.950  1.0
  O  O19  1  0.369  0.369  0.826  1.0
  O  O20  1  0.869  0.869  0.826  1.0
  O  O21  1  0.130  0.628  0.171  1.0
  O  O22  1  0.628  0.130  0.171  1.0
  O  O23  1  0.815  0.815  0.073  1.0
  O  O24  1  0.319  0.319  0.066  1.0
  O  O25  1  0.682  0.182  0.927  1.0
  O  O26  1  0.182  0.682  0.927  1.0
  O  O27  1  0.289  0.289  0.325  1.0
  O  O28  1  0.785  0.785  0.325  1.0
  O  O29  1  0.216  0.717  0.679  1.0
  O  O30  1  0.717  0.216  0.679  1.0
  O  O31  1  0.408  0.408  0.542  1.0
  O  O32  1  0.903  0.903  0.545  1.0
  O  O33  1  0.093  0.593  0.463  1.0
  O  O34  1  0.593  0.093  0.463  1.0
  O  O35  1  0.190  0.190  0.554  1.0
  O  O36  1  0.688  0.688  0.557  1.0
  O  O37  1  0.295  0.822  0.451  1.0
  O  O38  1  0.822  0.295  0.451  1.0
  O  O39  1  0.078  0.078  0.812  1.0
  O  O40  1  0.576  0.576  0.809  1.0
  O  O41  1  0.406  0.938  0.180  1.0
  O  O42  1  0.938  0.406  0.180  1.0
  O  O43  1  0.487  0.487  0.270  1.0
  O  O44  1  0.980  0.980  0.274  1.0
  O  O45  1  0.016  0.515  0.724  1.0
  O  O46  1  0.515  0.016  0.724  1.0
[/CIF]
.