The structure described by Ba3NdV3O12 crystallizes in the monoclinic Cm space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(10), one O(16), two equivalent O(15), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(11), one O(17), two equivalent O(13), and two equivalent O(9) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(12), one O(18), two equivalent O(14), and two equivalent O(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(18), one O(2), two equivalent O(11), two equivalent O(14), two equivalent O(8), and two equivalent O(9) atoms. In the fifth Ba site, Ba(5) is bonded in a 10-coordinate geometry to one O(16), one O(3), two equivalent O(12), two equivalent O(15), two equivalent O(7), and two equivalent O(9) atoms. In the sixth Ba site, Ba(6) is bonded in a 10-coordinate geometry to one O(11), one O(6), two equivalent O(14), two equivalent O(15), two equivalent O(18), and two equivalent O(9) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(13), and two equivalent O(7) atoms. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to one O(10), one O(5), two equivalent O(13), two equivalent O(14), two equivalent O(17), and two equivalent O(8) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(16), one O(2), and two equivalent O(13) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(17), one O(3), and two equivalent O(14) atoms. In the third V site, V(3) is bonded in a tetrahedral geometry to one O(1), one O(18), and two equivalent O(15) atoms. In the fourth V site, V(4) is bonded in a tetrahedral geometry to one O(10), one O(6), and two equivalent O(7) atoms. In the fifth V site, V(5) is bonded in a tetrahedral geometry to one O(11), one O(4), and two equivalent O(8) atoms. In the sixth V site, V(6) is bonded in a tetrahedral geometry to one O(12), one O(5), and two equivalent O(9) atoms. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(4) and one V(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(5) and one V(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Nd(1) and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Nd(2) and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(6) and one V(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(5), one Nd(1), and one V(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Nd(2), and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), one Ba(5), one Ba(6), and one V(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Nd(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(6), two equivalent Ba(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(5), and one V(6) atom. In the thirteenth O site, O(13) is bonded in a 1-coordinate geometry to one Ba(2), one Nd(1), one Nd(2), and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(4), one Ba(6), one Nd(2), and one V(2) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), one Ba(6), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), and one V(1) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Nd(2), and one V(2) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(4), two equivalent Ba(6), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3NdV3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.467
_cell_length_b   11.467
_cell_length_c   9.650
_cell_angle_alpha   85.480
_cell_angle_beta   85.480
_cell_angle_gamma   28.964
_symmetry_Int_Tables_number   1
_cell_volume   612.377
_cell_formula_units_Z   2
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  0.004  0.004  0.015  1.0
  Ba  Ba1  1  0.333  0.333  0.659  1.0
  Ba  Ba2  1  0.661  0.661  0.325  1.0
  Ba  Ba3  1  0.801  0.801  0.993  1.0
  Ba  Ba4  1  0.137  0.137  0.661  1.0
  Ba  Ba5  1  0.195  0.195  0.011  1.0
  Nd  Nd6  1  0.513  0.513  0.632  1.0
  Nd  Nd7  1  0.877  0.877  0.329  1.0
  V  V8  1  0.938  0.938  0.661  1.0
  V  V9  1  0.275  0.275  0.321  1.0
  V  V10  1  0.603  0.603  0.980  1.0
  V  V11  1  0.054  0.054  0.365  1.0
  V  V12  1  0.397  0.397  0.017  1.0
  V  V13  1  0.735  0.735  0.663  1.0
  O  O14  1  0.550  0.550  0.118  1.0
  O  O15  1  0.881  0.881  0.789  1.0
  O  O16  1  0.222  0.222  0.461  1.0
  O  O17  1  0.452  0.452  0.873  1.0
  O  O18  1  0.795  0.795  0.528  1.0
  O  O19  1  0.108  0.108  0.227  1.0
  O  O20  1  0.310  0.823  0.470  1.0
  O  O21  1  0.656  0.142  0.117  1.0
  O  O22  1  0.982  0.498  0.771  1.0
  O  O23  1  0.823  0.310  0.470  1.0
  O  O24  1  0.142  0.656  0.117  1.0
  O  O25  1  0.498  0.982  0.771  1.0
  O  O26  1  0.982  0.982  0.303  1.0
  O  O27  1  0.327  0.327  0.951  1.0
  O  O28  1  0.663  0.663  0.604  1.0
  O  O29  1  0.680  0.188  0.560  1.0
  O  O30  1  0.015  0.511  0.221  1.0
  O  O31  1  0.344  0.847  0.882  1.0
  O  O32  1  0.188  0.680  0.560  1.0
  O  O33  1  0.511  0.015  0.221  1.0
  O  O34  1  0.847  0.344  0.882  1.0
  O  O35  1  0.008  0.008  0.725  1.0
  O  O36  1  0.347  0.347  0.379  1.0
  O  O37  1  0.675  0.675  0.045  1.0
[/CIF]
.
The structure described by Ba3NdV3O12 crystallizes in the monoclinic Cm space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(10), one O(16), two equivalent O(15), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(11), one O(17), two equivalent O(13), and two equivalent O(9) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(12), one O(18), two equivalent O(14), and two equivalent O(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(18), one O(2), two equivalent O(11), two equivalent O(14), two equivalent O(8), and two equivalent O(9) atoms. In the fifth Ba site, Ba(5) is bonded in a 10-coordinate geometry to one O(16), one O(3), two equivalent O(12), two equivalent O(15), two equivalent O(7), and two equivalent O(9) atoms. In the sixth Ba site, Ba(6) is bonded in a 10-coordinate geometry to one O(11), one O(6), two equivalent O(14), two equivalent O(15), two equivalent O(18), and two equivalent O(9) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(13), and two equivalent O(7) atoms. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to one O(10), one O(5), two equivalent O(13), two equivalent O(14), two equivalent O(17), and two equivalent O(8) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(16), one O(2), and two equivalent O(13) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(17), one O(3), and two equivalent O(14) atoms. In the third V site, V(3) is bonded in a tetrahedral geometry to one O(1), one O(18), and two equivalent O(15) atoms. In the fourth V site, V(4) is bonded in a tetrahedral geometry to one O(10), one O(6), and two equivalent O(7) atoms. In the fifth V site, V(5) is bonded in a tetrahedral geometry to one O(11), one O(4), and two equivalent O(8) atoms. In the sixth V site, V(6) is bonded in a tetrahedral geometry to one O(12), one O(5), and two equivalent O(9) atoms. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(4) and one V(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(5) and one V(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Nd(1) and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Nd(2) and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(6) and one V(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(5), one Nd(1), and one V(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Nd(2), and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), one Ba(5), one Ba(6), and one V(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Nd(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(6), two equivalent Ba(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(5), and one V(6) atom. In the thirteenth O site, O(13) is bonded in a 1-coordinate geometry to one Ba(2), one Nd(1), one Nd(2), and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(4), one Ba(6), one Nd(2), and one V(2) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), one Ba(6), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), and one V(1) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Nd(2), and one V(2) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(4), two equivalent Ba(6), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3NdV3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.467
_cell_length_b   11.467
_cell_length_c   9.650
_cell_angle_alpha   85.480
_cell_angle_beta   85.480
_cell_angle_gamma   28.964
_symmetry_Int_Tables_number   1
_cell_volume   612.377
_cell_formula_units_Z   2
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  0.004  0.004  0.015  1.0
  Ba  Ba1  1  0.333  0.333  0.659  1.0
  Ba  Ba2  1  0.661  0.661  0.325  1.0
  Ba  Ba3  1  0.801  0.801  0.993  1.0
  Ba  Ba4  1  0.137  0.137  0.661  1.0
  Ba  Ba5  1  0.195  0.195  0.011  1.0
  Nd  Nd6  1  0.513  0.513  0.632  1.0
  Nd  Nd7  1  0.877  0.877  0.329  1.0
  V  V8  1  0.938  0.938  0.661  1.0
  V  V9  1  0.275  0.275  0.321  1.0
  V  V10  1  0.603  0.603  0.980  1.0
  V  V11  1  0.054  0.054  0.365  1.0
  V  V12  1  0.397  0.397  0.017  1.0
  V  V13  1  0.735  0.735  0.663  1.0
  O  O14  1  0.550  0.550  0.118  1.0
  O  O15  1  0.881  0.881  0.789  1.0
  O  O16  1  0.222  0.222  0.461  1.0
  O  O17  1  0.452  0.452  0.873  1.0
  O  O18  1  0.795  0.795  0.528  1.0
  O  O19  1  0.108  0.108  0.227  1.0
  O  O20  1  0.310  0.823  0.470  1.0
  O  O21  1  0.656  0.142  0.117  1.0
  O  O22  1  0.982  0.498  0.771  1.0
  O  O23  1  0.823  0.310  0.470  1.0
  O  O24  1  0.142  0.656  0.117  1.0
  O  O25  1  0.498  0.982  0.771  1.0
  O  O26  1  0.982  0.982  0.303  1.0
  O  O27  1  0.327  0.327  0.951  1.0
  O  O28  1  0.663  0.663  0.604  1.0
  O  O29  1  0.680  0.188  0.560  1.0
  O  O30  1  0.015  0.511  0.221  1.0
  O  O31  1  0.344  0.847  0.882  1.0
  O  O32  1  0.188  0.680  0.560  1.0
  O  O33  1  0.511  0.015  0.221  1.0
  O  O34  1  0.847  0.344  0.882  1.0
  O  O35  1  0.008  0.008  0.725  1.0
  O  O36  1  0.347  0.347  0.379  1.0
  O  O37  1  0.675  0.675  0.045  1.0
[/CIF]
.