The material described by BaV13O18 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 6-coordinate geometry to one V(12), one V(9), one O(11), one O(13), one O(17), and one O(8) atom. There are thirteen inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one V(11), one O(1), one O(11), one O(5), and one O(6) atom. In the second V site, V(2) is bonded in a 4-coordinate geometry to one V(11), one O(1), one O(10), one O(14), and one O(15) atom. In the third V site, V(3) is bonded in a 4-coordinate geometry to one O(14), one O(15), one O(16), one O(17), and one O(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one V(8), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the fifth V site, V(5) is bonded in a 4-coordinate geometry to one V(8), one O(16), one O(18), one O(4), and one O(7) atom. In the sixth V site, V(6) is bonded in a 4-coordinate geometry to one O(12), one O(13), one O(14), one O(16), and one O(18) atom. In the seventh V site, V(7) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(17), and one O(5) atom. In the eighth V site, V(8) is bonded in a 9-coordinate geometry to one V(4), one V(5), one O(11), one O(15), one O(18), one O(3), one O(6), one O(7), and one O(8) atom. In the ninth V site, V(9) is bonded in a 4-coordinate geometry to one Ba(1), one O(10), one O(17), one O(6), and one O(8) atom. In the tenth V site, V(10) is bonded in a 4-coordinate geometry to one O(13), one O(2), one O(4), and one O(7) atom. In the eleventh V site, V(11) is bonded in a 8-coordinate geometry to one V(1), one V(2), one O(10), one O(11), one O(15), one O(3), one O(6), and one O(8) atom. In the twelfth V site, V(12) is bonded in a 5-coordinate geometry to one Ba(1), one O(11), one O(12), one O(13), one O(3), and one O(7) atom. In the thirteenth V site, V(13) is bonded in a 4-coordinate geometry to one O(13), one O(17), one O(2), and one O(5) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), one V(7), and one O(11) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(10), one V(13), one V(4), and one O(13) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(11), one V(12), one V(4), and one V(8) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(10), one V(4), one V(5), and one O(8) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(13), one V(7), one O(17), and one O(6) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one V(1), one V(11), one V(4), one V(8), one V(9), one O(10), and one O(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(10), one V(12), one V(5), and one V(8) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Ba(1), one V(11), one V(4), one V(8), one V(9), one O(18), and one O(4) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one V(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one V(11), one V(2), one V(7), one V(9), and one O(6) atom. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Ba(1), one V(1), one V(11), one V(12), one V(8), one O(1), and one O(15) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one V(12) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to one Ba(1), one V(10), one V(12), one V(13), one V(6), and one O(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one V(11), one V(2), one V(3), one V(8), and one O(11) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one V(3), one V(5), and one V(6) atom. In the seventeenth O site, O(17) is bonded in a 6-coordinate geometry to one Ba(1), one V(13), one V(3), one V(7), one V(9), and one O(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(5), one V(6), one V(8), and one O(8) atom. is represented by the CIF card [CIF]
data_BaV13O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.383
_cell_length_b   7.906
_cell_length_c   8.011
_cell_angle_alpha   110.927
_cell_angle_beta   106.261
_cell_angle_gamma   108.413
_symmetry_Int_Tables_number   1
_cell_volume   371.442
_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
  Ba  Ba0  1  0.996  0.996  0.001  1.0
  V  V1  1  0.768  0.414  0.630  1.0
  V  V2  1  0.394  0.636  0.947  1.0
  V  V3  1  0.344  0.941  0.422  1.0
  V  V4  1  0.231  0.584  0.373  1.0
  V  V5  1  0.600  0.368  0.053  1.0
  V  V6  1  0.658  0.060  0.578  1.0
  V  V7  1  0.431  0.316  0.489  1.0
  V  V8  1  0.927  0.493  0.196  1.0
  V  V9  1  0.127  0.199  0.304  1.0
  V  V10  1  0.571  0.685  0.511  1.0
  V  V11  1  0.076  0.509  0.802  1.0
  V  V12  1  0.879  0.801  0.693  1.0
  V  V13  1  0.498  0.999  0.001  1.0
  O  O14  1  0.608  0.548  0.779  1.0
  O  O15  1  0.385  0.782  0.674  1.0
  O  O16  1  0.051  0.668  0.559  1.0
  O  O17  1  0.390  0.457  0.223  1.0
  O  O18  1  0.621  0.226  0.325  1.0
  O  O19  1  0.950  0.327  0.442  1.0
  O  O20  1  0.736  0.561  0.378  1.0
  O  O21  1  0.100  0.377  0.055  1.0
  O  O22  1  0.162  0.061  0.558  1.0
  O  O23  1  0.263  0.434  0.623  1.0
  O  O24  1  0.903  0.627  0.939  1.0
  O  O25  1  0.841  0.943  0.446  1.0
  O  O26  1  0.682  0.904  0.830  1.0
  O  O27  1  0.516  0.832  0.264  1.0
  O  O28  1  0.212  0.732  0.115  1.0
  O  O29  1  0.480  0.158  0.732  1.0
  O  O30  1  0.315  0.095  0.169  1.0
  O  O31  1  0.784  0.267  0.891  1.0
[/CIF]
.
The material described by BaV13O18 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 6-coordinate geometry to one V(12), one V(9), one O(11), one O(13), one O(17), and one O(8) atom. There are thirteen inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one V(11), one O(1), one O(11), one O(5), and one O(6) atom. In the second V site, V(2) is bonded in a 4-coordinate geometry to one V(11), one O(1), one O(10), one O(14), and one O(15) atom. In the third V site, V(3) is bonded in a 4-coordinate geometry to one O(14), one O(15), one O(16), one O(17), and one O(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one V(8), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the fifth V site, V(5) is bonded in a 4-coordinate geometry to one V(8), one O(16), one O(18), one O(4), and one O(7) atom. In the sixth V site, V(6) is bonded in a 4-coordinate geometry to one O(12), one O(13), one O(14), one O(16), and one O(18) atom. In the seventh V site, V(7) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(17), and one O(5) atom. In the eighth V site, V(8) is bonded in a 9-coordinate geometry to one V(4), one V(5), one O(11), one O(15), one O(18), one O(3), one O(6), one O(7), and one O(8) atom. In the ninth V site, V(9) is bonded in a 4-coordinate geometry to one Ba(1), one O(10), one O(17), one O(6), and one O(8) atom. In the tenth V site, V(10) is bonded in a 4-coordinate geometry to one O(13), one O(2), one O(4), and one O(7) atom. In the eleventh V site, V(11) is bonded in a 8-coordinate geometry to one V(1), one V(2), one O(10), one O(11), one O(15), one O(3), one O(6), and one O(8) atom. In the twelfth V site, V(12) is bonded in a 5-coordinate geometry to one Ba(1), one O(11), one O(12), one O(13), one O(3), and one O(7) atom. In the thirteenth V site, V(13) is bonded in a 4-coordinate geometry to one O(13), one O(17), one O(2), and one O(5) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), one V(7), and one O(11) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(10), one V(13), one V(4), and one O(13) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(11), one V(12), one V(4), and one V(8) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(10), one V(4), one V(5), and one O(8) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(13), one V(7), one O(17), and one O(6) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one V(1), one V(11), one V(4), one V(8), one V(9), one O(10), and one O(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(10), one V(12), one V(5), and one V(8) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Ba(1), one V(11), one V(4), one V(8), one V(9), one O(18), and one O(4) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one V(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one V(11), one V(2), one V(7), one V(9), and one O(6) atom. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Ba(1), one V(1), one V(11), one V(12), one V(8), one O(1), and one O(15) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one V(12) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to one Ba(1), one V(10), one V(12), one V(13), one V(6), and one O(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one V(11), one V(2), one V(3), one V(8), and one O(11) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one V(3), one V(5), and one V(6) atom. In the seventeenth O site, O(17) is bonded in a 6-coordinate geometry to one Ba(1), one V(13), one V(3), one V(7), one V(9), and one O(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(5), one V(6), one V(8), and one O(8) atom. is represented by the CIF card [CIF]
data_BaV13O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.383
_cell_length_b   7.906
_cell_length_c   8.011
_cell_angle_alpha   110.927
_cell_angle_beta   106.261
_cell_angle_gamma   108.413
_symmetry_Int_Tables_number   1
_cell_volume   371.442
_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
  Ba  Ba0  1  0.996  0.996  0.001  1.0
  V  V1  1  0.768  0.414  0.630  1.0
  V  V2  1  0.394  0.636  0.947  1.0
  V  V3  1  0.344  0.941  0.422  1.0
  V  V4  1  0.231  0.584  0.373  1.0
  V  V5  1  0.600  0.368  0.053  1.0
  V  V6  1  0.658  0.060  0.578  1.0
  V  V7  1  0.431  0.316  0.489  1.0
  V  V8  1  0.927  0.493  0.196  1.0
  V  V9  1  0.127  0.199  0.304  1.0
  V  V10  1  0.571  0.685  0.511  1.0
  V  V11  1  0.076  0.509  0.802  1.0
  V  V12  1  0.879  0.801  0.693  1.0
  V  V13  1  0.498  0.999  0.001  1.0
  O  O14  1  0.608  0.548  0.779  1.0
  O  O15  1  0.385  0.782  0.674  1.0
  O  O16  1  0.051  0.668  0.559  1.0
  O  O17  1  0.390  0.457  0.223  1.0
  O  O18  1  0.621  0.226  0.325  1.0
  O  O19  1  0.950  0.327  0.442  1.0
  O  O20  1  0.736  0.561  0.378  1.0
  O  O21  1  0.100  0.377  0.055  1.0
  O  O22  1  0.162  0.061  0.558  1.0
  O  O23  1  0.263  0.434  0.623  1.0
  O  O24  1  0.903  0.627  0.939  1.0
  O  O25  1  0.841  0.943  0.446  1.0
  O  O26  1  0.682  0.904  0.830  1.0
  O  O27  1  0.516  0.832  0.264  1.0
  O  O28  1  0.212  0.732  0.115  1.0
  O  O29  1  0.480  0.158  0.732  1.0
  O  O30  1  0.315  0.095  0.169  1.0
  O  O31  1  0.784  0.267  0.891  1.0
[/CIF]
.