The crystal structure described by RbCa2Nb3O10 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ca(1) is bonded in a 12-coordinate geometry to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Rb(1) and one Nb(2) atom. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Nb(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Nb2 trigonal pyramids. In the third O site, O(3) is bonded in a linear geometry to four equivalent Ca(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one Nb(1), and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCa2Nb3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   3.966
_cell_length_c   15.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.406
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.500  0.850  1.0
  Ca  Ca2  1  0.500  0.500  0.150  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  Nb  Nb4  1  0.000  0.000  0.282  1.0
  Nb  Nb5  1  0.000  0.000  0.718  1.0
  O  O6  1  0.000  0.000  0.600  1.0
  O  O7  1  0.000  0.000  0.400  1.0
  O  O8  1  0.500  0.000  0.746  1.0
  O  O9  1  0.000  0.500  0.746  1.0
  O  O10  1  0.500  0.000  0.254  1.0
  O  O11  1  0.000  0.500  0.254  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.000  0.000  0.130  1.0
  O  O15  1  0.000  0.000  0.870  1.0
[/CIF]
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The crystal structure described by RbCa2Nb3O10 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ca(1) is bonded in a 12-coordinate geometry to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Rb(1) and one Nb(2) atom. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Nb(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Nb2 trigonal pyramids. In the third O site, O(3) is bonded in a linear geometry to four equivalent Ca(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one Nb(1), and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCa2Nb3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   3.966
_cell_length_c   15.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.406
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.500  0.850  1.0
  Ca  Ca2  1  0.500  0.500  0.150  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  Nb  Nb4  1  0.000  0.000  0.282  1.0
  Nb  Nb5  1  0.000  0.000  0.718  1.0
  O  O6  1  0.000  0.000  0.600  1.0
  O  O7  1  0.000  0.000  0.400  1.0
  O  O8  1  0.500  0.000  0.746  1.0
  O  O9  1  0.000  0.500  0.746  1.0
  O  O10  1  0.500  0.000  0.254  1.0
  O  O11  1  0.000  0.500  0.254  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.000  0.000  0.130  1.0
  O  O15  1  0.000  0.000  0.870  1.0
[/CIF]
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