data_1001842
_chemical_name_systematic          'Tetrapotassium hexaniobium oxide'
_chemical_formula_structural       'K4 Nb6 O17'
_chemical_formula_sum              'K4 Nb6 O17'
_publ_section_title
;
Mecanisme d'hydratation des niobates alcalins lamellaires de formule A4
Nb4 O17 (A=K,Rb,Cs)
;
loop_
_publ_author_name
  'Gasperin, M'
  'le=Bihan, M T'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    43
_journal_year                      1982
_journal_page_first                346
_journal_page_last                 353
_cell_length_a                     7.83
_cell_length_b                     33.20999
_cell_length_c                     6.46
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1679.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 n b'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nb5+   5.000
  K1+    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+   4 a 0. 0.1741(3) 0.2017(11) 1.  0 d
  Nb2   Nb5+   4 a 0.0078(7) 0.8259(2) 0.7941(9) 1.  0 d
  Nb3   Nb5+   4 a -0.0011(11) 0.1252(2) 0.7558(10) 1.  0 d
  Nb4   Nb5+   4 a 0.0147(10) 0.8728(2) 0.2325(11) 1.  0 d
  Nb5   Nb5+   4 a 0.2617(11) 0.0954(1) 0.1369(6) 1.  0 d
  Nb6   Nb5+   4 a 0.2614(11) 0.0499(1) 0.6802(6) 1.  0 d
  K1    K1+    4 a 0.2484(18) 0.2209(2) 0.6511(13) 1.  0 d
  K2    K1+    4 a 0.7509(28) 0.2177(3) 0.6453(16) 1.  0 d
  K3    K1+    4 a 0.7499(26) 0.0819(3) 0.3339(16) 1.  0 d
  K4    K1+    4 a 0.7542(34) 0.0214(3) 0.7948(17) 1.  0 d
  O1    O2-    4 a 0.0431(89) 0.2219(20) 0.2783(117) 1.  0 d
  O2    O2-    4 a 0.4862(73) 0.2279(15) 0.2786(88) 1.  0 d
  O3    O2-    4 a 0.0131(34) 0.1445(7) 0.4976(50) 1.  0 d
  O4    O2-    4 a 0.5189(40) 0.1536(9) 0.5162(59) 1.  0 d
  O5    O2-    4 a 0.0228(32) 0.0680(9) 0.6711(49) 1.  0 d
  O6    O2-    4 a 0.5142(73) 0.0683(17) 0.7100(89) 1.  0 d
  O7    O2-    4 a 0.0053(41) 0.1783(8) 0.9048(56) 1.  0 d
  O8    O2-    4 a 0.5091(82) 0.1902(15) 0.9157(105) 1.  0 d
  O9    O2-    4 a 0.0189(35) 0.1099(8) 0.0918(53) 1.  0 d
  O10   O2-    4 a 0.4885(73) 0.1026(15) 0.0729(87) 1.  0 d
  O11   O2-    4 a 0.2599(58) 0.1209(7) 0.8112(41) 1.  0 d
  O12   O2-    4 a 0.7567(75) 0.1169(10) 0.7814(63) 1.  0 d
  O13   O2-    4 a 0.2354(68) 0.0426(11) 0.9830(65) 1.  0 d
  O14   O2-    4 a 0.7500(103) 0.1676(9) 0.2327(56) 1.  0 d
  O15   O2-    4 a 0.239(6) 0.1561(8) 0.2230(46) 1.  0 d
  O16   O2-    4 a 0.2758(62) 0.996(1) 0.6252(64) 1.  0 d
  O17   O2-    4 a 0.278(3) 0.0737(7) 0.3874(40) 1.  0 d
_refine_ls_R_factor_all            0.147