The material described by RbPrTiNbO6F crystallizes in the orthorhombic Pmm2 space group. Rb(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Pr(1) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(5), four equivalent O(6), and two equivalent F(1) atoms to form a mixture of face and corner-sharing PrO10F2 cuboctahedra. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(3), and two equivalent F(1) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Rb(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to four equivalent Rb(1) and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) and two equivalent Nb(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Pr(1), one Ti(1), and one Nb(1) atom to form a mixture of edge and corner-sharing OPr4TiNb octahedra. The corner-sharing octahedral tilt angles are 1°. F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbPrTiNbO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   3.901
_cell_length_c   11.282
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.030
_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  0.505  1.0
  Pr  Pr1  1  0.500  0.500  1.000  1.0
  Ti  Ti2  1  0.000  0.000  0.795  1.0
  Nb  Nb3  1  0.000  0.000  0.204  1.0
  O  O4  1  0.000  0.000  0.644  1.0
  O  O5  1  0.000  0.000  0.364  1.0
  O  O6  1  0.500  0.000  0.835  1.0
  O  O7  1  0.500  0.000  0.163  1.0
  O  O8  1  0.000  0.500  0.161  1.0
  O  O9  1  0.000  0.000  0.997  1.0
  F  F10  1  0.000  0.500  0.832  1.0
[/CIF]
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The material described by RbPrTiNbO6F crystallizes in the orthorhombic Pmm2 space group. Rb(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Pr(1) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(5), four equivalent O(6), and two equivalent F(1) atoms to form a mixture of face and corner-sharing PrO10F2 cuboctahedra. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(3), and two equivalent F(1) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Rb(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to four equivalent Rb(1) and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) and two equivalent Nb(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Pr(1), one Ti(1), and one Nb(1) atom to form a mixture of edge and corner-sharing OPr4TiNb octahedra. The corner-sharing octahedral tilt angles are 1°. F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbPrTiNbO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   3.901
_cell_length_c   11.282
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.030
_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  0.505  1.0
  Pr  Pr1  1  0.500  0.500  1.000  1.0
  Ti  Ti2  1  0.000  0.000  0.795  1.0
  Nb  Nb3  1  0.000  0.000  0.204  1.0
  O  O4  1  0.000  0.000  0.644  1.0
  O  O5  1  0.000  0.000  0.364  1.0
  O  O6  1  0.500  0.000  0.835  1.0
  O  O7  1  0.500  0.000  0.163  1.0
  O  O8  1  0.000  0.500  0.161  1.0
  O  O9  1  0.000  0.000  0.997  1.0
  F  F10  1  0.000  0.500  0.832  1.0
[/CIF]
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