data_1001089
_chemical_name_systematic          'Tetrarubidium 17-oxohexaniobate trihydrate'
_chemical_formula_structural       'Rb4 Nb6 O17 (H2 O)3'
_chemical_formula_sum              'H6 Nb6 O20 Rb4'
_publ_section_title
;
Un niobate de rubidium d'un type structural nouveau: Rb~4~ Nb~6~
O~17~*(H~2~ O)~3~
;
loop_
_publ_author_name
  'Gasperin, M'
  'le=Bihan, M T'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    33
_journal_year                      1980
_journal_page_first                83
_journal_page_last                 89
_cell_length_a                     7.83(1)
_cell_length_b                     39.06(5)
_cell_length_c                     6.57(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2009.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P m n b'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+x,-y,-z'
  '-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,y,z'
  'x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nb5+   5.000
  Rb1+   1.000
  O2-   -2.000
  H1+    1.000
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+   8 d -0.0031(7) 0.1824(1) 0.1039(7) 1.  0 d
  Nb2   Nb5+   8 d -0.0109(7) 0.1424(1) 0.6599(7) 1.  0 d
  Nb3   Nb5+   4 c 0.25 0.1167(2) 0.0366(11) 1.  0 d
  Nb4   Nb5+   4 c 0.25 0.0780(2) 0.5817(12) 1.  0 d
  Rb1   Rb1+   4 c 0.25 0.2238(2) 0.5500(16) 1.  0 d
  Rb2   Rb1+   4 c 0.75 0.2230(2) 0.5411(16) 1.  0 d
  Rb3   Rb1+   4 c 0.75 0.0920(3) 0.2185(18) 1.  0 d
  Rb4   Rb1+   4 c 0.25 0.0107(4) 0.0754(31) 1.  0 d
  O1    O2-    8 d 0.0396(58) 0.2239(10) 0.1783(71) 1.  0 d
  O2    O2-    8 d 0.0048(58) 0.1638(9) 0.4065(64) 1.  0 d
  O3    O2-    8 d 0.4860(72) 0.0933(11) 0.5976(79) 1.  0 d
  O4    O2-    8 d 0.0032(56) 0.1862(8) 0.8031(59) 1.  0 d
  O5    O2-    8 d 0.0130(72) 0.1308(11) 0.9917(81) 1.  0 d
  O6    O2-    4 c 0.25 0.1366(17) 0.7096(119) 1.  0 d
  O7    O2-    4 c 0.75 0.1398(11) 0.7089(85) 1.  0 d
  O8    O2-    4 c 0.25 0.0772(16) 0.8834(115) 1.  0 d
  O9    O2-    4 c 0.75 0.1793(21) 0.1104(143) 1.  0 d
  O10   O2-    4 c 0.25 0.1708(18) 0.1229(120) 1.  0 d
  O11   O2-    4 c 0.25 0.0329(18) 0.4972(120) 1.  0 d
  O12   O2-    4 c 0.25 0.0958(11) 0.3142(81) 1.  0 d
  O13   O2-    8 d 0.5508(126) 0.0183(55) 0.2638(162) 1.  2 d
  O14   O2-    4 c 0.75 0.0564(27) 0.7599(190) 1.  2 d
  H1    H1+    8 d -1. -1. -1. 3.  0 dum
_refine_ls_R_factor_all            0.124