The material structure described by Nd2SiTeO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to four equivalent Te(1), one O(2), one O(3), and two equivalent O(1) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one Te(1), one O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Te(1) is bonded to one Nd(2) and four equivalent Nd(1) atoms to form distorted TeNd5 square pyramids that share corners with four equivalent Te(1)Nd5 square pyramids, corners with five equivalent O(1)Nd3Si trigonal pyramids, edges with four equivalent Te(1)Nd5 square pyramids, and edges with two equivalent O(1)Nd3Si trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Nd(2), two equivalent Nd(1), and one Si(1) atom to form distorted ONd3Si trigonal pyramids that share corners with five equivalent Te(1)Nd5 square pyramids, corners with two equivalent O(1)Nd3Si trigonal pyramids, and edges with two equivalent Te(1)Nd5 square pyramids. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Nd(2) and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd2SiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.434
_cell_length_b   8.714
_cell_length_c   9.868
_cell_angle_alpha   94.747
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.328
_cell_formula_units_Z   4
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  0.696  0.165  0.654  1.0
  Nd  Nd1  1  0.804  0.665  0.654  1.0
  Nd  Nd2  1  0.304  0.835  0.346  1.0
  Nd  Nd3  1  0.196  0.335  0.346  1.0
  Nd  Nd4  1  0.848  0.694  0.105  1.0
  Nd  Nd5  1  0.348  0.806  0.895  1.0
  Nd  Nd6  1  0.152  0.306  0.895  1.0
  Nd  Nd7  1  0.652  0.194  0.105  1.0
  Si  Si8  1  0.190  0.057  0.125  1.0
  Si  Si9  1  0.810  0.943  0.875  1.0
  Si  Si10  1  0.690  0.443  0.875  1.0
  Si  Si11  1  0.310  0.557  0.125  1.0
  Te  Te12  1  0.286  0.616  0.594  1.0
  Te  Te13  1  0.786  0.884  0.406  1.0
  Te  Te14  1  0.714  0.384  0.406  1.0
  Te  Te15  1  0.214  0.116  0.594  1.0
  O  O16  1  0.141  0.591  0.248  1.0
  O  O17  1  0.641  0.909  0.752  1.0
  O  O18  1  0.859  0.409  0.752  1.0
  O  O19  1  0.359  0.091  0.248  1.0
  O  O20  1  0.489  0.685  0.153  1.0
  O  O21  1  0.989  0.815  0.847  1.0
  O  O22  1  0.511  0.315  0.847  1.0
  O  O23  1  0.011  0.185  0.153  1.0
  O  O24  1  0.133  0.876  0.125  1.0
  O  O25  1  0.807  0.422  0.019  1.0
  O  O26  1  0.867  0.124  0.875  1.0
  O  O27  1  0.367  0.376  0.125  1.0
  O  O28  1  0.693  0.922  0.019  1.0
  O  O29  1  0.193  0.578  0.981  1.0
  O  O30  1  0.307  0.078  0.981  1.0
  O  O31  1  0.633  0.624  0.875  1.0
[/CIF]
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The material structure described by Nd2SiTeO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to four equivalent Te(1), one O(2), one O(3), and two equivalent O(1) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one Te(1), one O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Te(1) is bonded to one Nd(2) and four equivalent Nd(1) atoms to form distorted TeNd5 square pyramids that share corners with four equivalent Te(1)Nd5 square pyramids, corners with five equivalent O(1)Nd3Si trigonal pyramids, edges with four equivalent Te(1)Nd5 square pyramids, and edges with two equivalent O(1)Nd3Si trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Nd(2), two equivalent Nd(1), and one Si(1) atom to form distorted ONd3Si trigonal pyramids that share corners with five equivalent Te(1)Nd5 square pyramids, corners with two equivalent O(1)Nd3Si trigonal pyramids, and edges with two equivalent Te(1)Nd5 square pyramids. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Nd(2) and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd2SiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.434
_cell_length_b   8.714
_cell_length_c   9.868
_cell_angle_alpha   94.747
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.328
_cell_formula_units_Z   4
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  0.696  0.165  0.654  1.0
  Nd  Nd1  1  0.804  0.665  0.654  1.0
  Nd  Nd2  1  0.304  0.835  0.346  1.0
  Nd  Nd3  1  0.196  0.335  0.346  1.0
  Nd  Nd4  1  0.848  0.694  0.105  1.0
  Nd  Nd5  1  0.348  0.806  0.895  1.0
  Nd  Nd6  1  0.152  0.306  0.895  1.0
  Nd  Nd7  1  0.652  0.194  0.105  1.0
  Si  Si8  1  0.190  0.057  0.125  1.0
  Si  Si9  1  0.810  0.943  0.875  1.0
  Si  Si10  1  0.690  0.443  0.875  1.0
  Si  Si11  1  0.310  0.557  0.125  1.0
  Te  Te12  1  0.286  0.616  0.594  1.0
  Te  Te13  1  0.786  0.884  0.406  1.0
  Te  Te14  1  0.714  0.384  0.406  1.0
  Te  Te15  1  0.214  0.116  0.594  1.0
  O  O16  1  0.141  0.591  0.248  1.0
  O  O17  1  0.641  0.909  0.752  1.0
  O  O18  1  0.859  0.409  0.752  1.0
  O  O19  1  0.359  0.091  0.248  1.0
  O  O20  1  0.489  0.685  0.153  1.0
  O  O21  1  0.989  0.815  0.847  1.0
  O  O22  1  0.511  0.315  0.847  1.0
  O  O23  1  0.011  0.185  0.153  1.0
  O  O24  1  0.133  0.876  0.125  1.0
  O  O25  1  0.807  0.422  0.019  1.0
  O  O26  1  0.867  0.124  0.875  1.0
  O  O27  1  0.367  0.376  0.125  1.0
  O  O28  1  0.693  0.922  0.019  1.0
  O  O29  1  0.193  0.578  0.981  1.0
  O  O30  1  0.307  0.078  0.981  1.0
  O  O31  1  0.633  0.624  0.875  1.0
[/CIF]
.