data_1001481
_chemical_name_systematic          'Sodium phyllo-niobatophosphate *'
_chemical_formula_structural       'Na6 (Nb8 P2 O29) (P3 O6)'
_chemical_formula_sum              'Na6 Nb8 O35 P5'
_publ_section_title
;
A niobium phosphate "bronze" closely related to the
Ba4/3Nb~6~Si4/4O~26~ structure: Na~6~Nb~8~P~5~O~35~
;
loop_
_publ_author_name
  'Benabbas, A'
  'Borel, M M'
  'Grandin, A'
  'Leclaire, A'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    92
_journal_year                      1991
_journal_page_first                51
_journal_page_last                 56
_cell_length_a                     8.9185(5)
_cell_length_b                     8.9185(5)
_cell_length_c                     30.055(11)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       2070.3
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R 3 2 H'
_symmetry_Int_Tables_number        155
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nb5+   4.875
  P5+    5.000
  Na1+   1.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Nb1   Nb5+  18 f 0.2341(1) -0.0090(1) 0.06328(3) 1.  0 d
  Nb2   Nb5+   6 c 0. 0. 0.23608(5) 1.  0 d
  P1    P5+    6 c 0.3333 0.6667 0.0711(2) 1.  0 d
  P2    P5+    9 e 0.4413(4) 0. 0.5 1.  0 d
  Na1   Na1+   9 e 0.7862(9) 0. 0.5 1.  0 d
  Na2   Na1+   9 d 0.583(2) 0. 0. 1.  0 d
  O1    O2-    9 d 0.229(1) 0. 0. 1.  0 d
  O2    O2-   18 f 0.2526(9) -0.0364(9) 0.1314(2) 1.  0 d
  O3    O2-   18 f 0.4933(9) 0.140(1) 0.0658(2) 1.  0 d
  O4    O2-   18 f 0.261(1) 0.7782(9) 0.0514(2) 1.  0 d
  O5    O2-   18 f 0.187(1) 0.171(1) 0.0696(3) 1.  0 d
  O6    O2-   18 f 0.1996(9) 0.1422(9) 0.1897(3) 1.  0 d
  O7    O2-    6 c 0.3333 0.6667 0.1212(5) 1.  0 d
_refine_ls_R_factor_all            0.037