The material structure described by Nd4V5(Si2O11)2 is Esseneite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to one O(3), one O(7), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the third V site, V(3) is bonded to two equivalent O(7) and four equivalent O(8) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the fourth V site, V(4) is bonded to two equivalent O(6) and four equivalent O(8) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second Si site, Si(2) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Si(1) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Nd(1), one V(1), and one Si(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(2), one V(2), and one Si(2) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Nd(2), one V(4), and two equivalent V(2) atoms. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Nd(1), one V(3), and two equivalent V(2) atoms. In the sixth O site, O(8) is bonded in a distorted see-saw-like geometry to one Nd(1), one Nd(2), one V(3), and one V(4) atom. In the seventh O site, O(1) is bonded in a linear geometry to one Si(1) and one Si(2) atom. In the eighth O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(2), one V(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd4V5(Si2O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.330
_cell_length_b   7.330
_cell_length_c   11.153
_cell_angle_alpha   80.412
_cell_angle_beta   80.412
_cell_angle_gamma   45.761
_symmetry_Int_Tables_number   1
_cell_volume   422.312
_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
  Nd  Nd0  1  0.073  0.073  0.751  1.0
  Nd  Nd1  1  0.927  0.927  0.249  1.0
  Nd  Nd2  1  0.356  0.356  0.756  1.0
  Nd  Nd3  1  0.644  0.644  0.244  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  V  V6  1  0.500  0.000  0.500  1.0
  V  V7  1  0.000  0.000  0.500  1.0
  V  V8  1  0.500  0.500  0.500  1.0
  Si  Si9  1  0.139  0.139  0.042  1.0
  Si  Si10  1  0.861  0.861  0.958  1.0
  Si  Si11  1  0.297  0.297  0.228  1.0
  Si  Si12  1  0.703  0.703  0.772  1.0
  O  O13  1  0.225  0.225  0.126  1.0
  O  O14  1  0.775  0.775  0.874  1.0
  O  O15  1  0.165  0.694  0.911  1.0
  O  O16  1  0.306  0.835  0.089  1.0
  O  O17  1  0.835  0.306  0.089  1.0
  O  O18  1  0.694  0.165  0.911  1.0
  O  O19  1  0.185  0.185  0.899  1.0
  O  O20  1  0.815  0.815  0.101  1.0
  O  O21  1  0.414  0.414  0.165  1.0
  O  O22  1  0.586  0.586  0.835  1.0
  O  O23  1  0.966  0.489  0.689  1.0
  O  O24  1  0.511  0.034  0.311  1.0
  O  O25  1  0.034  0.511  0.311  1.0
  O  O26  1  0.650  0.650  0.485  1.0
  O  O27  1  0.350  0.350  0.515  1.0
  O  O28  1  0.858  0.858  0.473  1.0
  O  O29  1  0.142  0.142  0.527  1.0
  O  O30  1  0.736  0.217  0.631  1.0
  O  O31  1  0.783  0.264  0.369  1.0
  O  O32  1  0.264  0.783  0.369  1.0
  O  O33  1  0.217  0.736  0.631  1.0
  O  O34  1  0.489  0.966  0.689  1.0
[/CIF]
.
The material structure described by Nd4V5(Si2O11)2 is Esseneite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to one O(3), one O(7), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the third V site, V(3) is bonded to two equivalent O(7) and four equivalent O(8) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the fourth V site, V(4) is bonded to two equivalent O(6) and four equivalent O(8) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second Si site, Si(2) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Si(1) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Nd(1), one V(1), and one Si(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(2), one V(2), and one Si(2) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Nd(2), one V(4), and two equivalent V(2) atoms. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Nd(1), one V(3), and two equivalent V(2) atoms. In the sixth O site, O(8) is bonded in a distorted see-saw-like geometry to one Nd(1), one Nd(2), one V(3), and one V(4) atom. In the seventh O site, O(1) is bonded in a linear geometry to one Si(1) and one Si(2) atom. In the eighth O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(2), one V(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd4V5(Si2O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.330
_cell_length_b   7.330
_cell_length_c   11.153
_cell_angle_alpha   80.412
_cell_angle_beta   80.412
_cell_angle_gamma   45.761
_symmetry_Int_Tables_number   1
_cell_volume   422.312
_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
  Nd  Nd0  1  0.073  0.073  0.751  1.0
  Nd  Nd1  1  0.927  0.927  0.249  1.0
  Nd  Nd2  1  0.356  0.356  0.756  1.0
  Nd  Nd3  1  0.644  0.644  0.244  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  V  V6  1  0.500  0.000  0.500  1.0
  V  V7  1  0.000  0.000  0.500  1.0
  V  V8  1  0.500  0.500  0.500  1.0
  Si  Si9  1  0.139  0.139  0.042  1.0
  Si  Si10  1  0.861  0.861  0.958  1.0
  Si  Si11  1  0.297  0.297  0.228  1.0
  Si  Si12  1  0.703  0.703  0.772  1.0
  O  O13  1  0.225  0.225  0.126  1.0
  O  O14  1  0.775  0.775  0.874  1.0
  O  O15  1  0.165  0.694  0.911  1.0
  O  O16  1  0.306  0.835  0.089  1.0
  O  O17  1  0.835  0.306  0.089  1.0
  O  O18  1  0.694  0.165  0.911  1.0
  O  O19  1  0.185  0.185  0.899  1.0
  O  O20  1  0.815  0.815  0.101  1.0
  O  O21  1  0.414  0.414  0.165  1.0
  O  O22  1  0.586  0.586  0.835  1.0
  O  O23  1  0.966  0.489  0.689  1.0
  O  O24  1  0.511  0.034  0.311  1.0
  O  O25  1  0.034  0.511  0.311  1.0
  O  O26  1  0.650  0.650  0.485  1.0
  O  O27  1  0.350  0.350  0.515  1.0
  O  O28  1  0.858  0.858  0.473  1.0
  O  O29  1  0.142  0.142  0.527  1.0
  O  O30  1  0.736  0.217  0.631  1.0
  O  O31  1  0.783  0.264  0.369  1.0
  O  O32  1  0.264  0.783  0.369  1.0
  O  O33  1  0.217  0.736  0.631  1.0
  O  O34  1  0.489  0.966  0.689  1.0
[/CIF]
.