The material structure described by RbLaNb2O7 crystallizes in the orthorhombic Imma space group. Rb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(3) atoms. La(1) is bonded in a 11-coordinate geometry to three equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Nb2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_RbLaNb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.929
_cell_length_b   11.929
_cell_length_c   11.929
_cell_angle_alpha   153.100
_cell_angle_beta   152.925
_cell_angle_gamma   38.537
_symmetry_Int_Tables_number   1
_cell_volume   349.009
_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
  Rb  Rb0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.765  0.750  0.015  1.0
  La  La3  1  0.235  0.250  0.985  1.0
  Nb  Nb4  1  0.152  0.647  0.505  1.0
  Nb  Nb5  1  0.643  0.147  0.495  1.0
  Nb  Nb6  1  0.848  0.353  0.495  1.0
  Nb  Nb7  1  0.357  0.853  0.505  1.0
  O  O8  1  0.574  0.074  0.000  1.0
  O  O9  1  0.182  0.750  0.432  1.0
  O  O10  1  0.482  0.932  0.550  1.0
  O  O11  1  0.426  0.926  0.000  1.0
  O  O12  1  0.118  0.568  0.550  1.0
  O  O13  1  0.906  0.906  0.500  1.0
  O  O14  1  0.818  0.250  0.568  1.0
  O  O15  1  0.906  0.406  0.000  1.0
  O  O16  1  0.882  0.432  0.450  1.0
  O  O17  1  0.094  0.594  0.000  1.0
  O  O18  1  0.574  0.574  0.500  1.0
  O  O19  1  0.518  0.068  0.450  1.0
  O  O20  1  0.094  0.094  0.500  1.0
  O  O21  1  0.426  0.426  0.500  1.0
[/CIF]
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The material structure described by RbLaNb2O7 crystallizes in the orthorhombic Imma space group. Rb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(3) atoms. La(1) is bonded in a 11-coordinate geometry to three equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Nb2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_RbLaNb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.929
_cell_length_b   11.929
_cell_length_c   11.929
_cell_angle_alpha   153.100
_cell_angle_beta   152.925
_cell_angle_gamma   38.537
_symmetry_Int_Tables_number   1
_cell_volume   349.009
_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
  Rb  Rb0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.765  0.750  0.015  1.0
  La  La3  1  0.235  0.250  0.985  1.0
  Nb  Nb4  1  0.152  0.647  0.505  1.0
  Nb  Nb5  1  0.643  0.147  0.495  1.0
  Nb  Nb6  1  0.848  0.353  0.495  1.0
  Nb  Nb7  1  0.357  0.853  0.505  1.0
  O  O8  1  0.574  0.074  0.000  1.0
  O  O9  1  0.182  0.750  0.432  1.0
  O  O10  1  0.482  0.932  0.550  1.0
  O  O11  1  0.426  0.926  0.000  1.0
  O  O12  1  0.118  0.568  0.550  1.0
  O  O13  1  0.906  0.906  0.500  1.0
  O  O14  1  0.818  0.250  0.568  1.0
  O  O15  1  0.906  0.406  0.000  1.0
  O  O16  1  0.882  0.432  0.450  1.0
  O  O17  1  0.094  0.594  0.000  1.0
  O  O18  1  0.574  0.574  0.500  1.0
  O  O19  1  0.518  0.068  0.450  1.0
  O  O20  1  0.094  0.094  0.500  1.0
  O  O21  1  0.426  0.426  0.500  1.0
[/CIF]
.