#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007086.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1007086
_chemical_name_systematic
;
Rubidium cyclo-triphosphate telluric acid hydrate
;
_chemical_formula_structural       'TE (O H)6 RB3 P3 O9 H2 O'
_chemical_formula_sum              'H8 O16 P3 Rb3 Te'
_publ_section_title
;
Structure d'un trimetaphosphate-tellurate de rubidium monohydrate: Te
(O H)~6~ Rb~3~ P~3~ H~2~ O
;
loop_
_publ_author_name
  'Boudjada, N'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    38
_journal_year                      1982
_journal_page_first                595
_journal_page_last                 597
_cell_length_a                     15.56(1)
_cell_length_b                     8.358(3)
_cell_length_c                     13.72(1)
_cell_angle_alpha                  90
_cell_angle_beta                   113.27(5)
_cell_angle_gamma                  90
_cell_volume                       1639.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/a 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te6+   6.000
  Rb1+   1.000
  P5+    5.000
  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
  Te1   Te6+   4 e 0.15416(3) 0.28050(7) 0.67392(4) 1.  0 d
  Rb1   Rb1+   4 e 0.22341(6) 0.4963(1) 0.96296(7) 1.  0 d
  Rb2   Rb1+   4 e 0.44035(6) 0.1923(1) 0.86118(7) 1.  0 d
  Rb3   Rb1+   4 e 0.35891(7) 0.3144(1) 0.37965(7) 1.  0 d
  P1    P5+    4 e 0.1293(1) 0.2623(3) 0.1409(2) 1.  0 d
  P2    P5+    4 e 0.4563(1) 0.3827(3) 0.1271(2) 1.  0 d
  P3    P5+    4 e 0.0772(1) 0.2790(3) 0.3216(2) 1.  0 d
  O1    O2-    4 e 0.4119(4) 0.8846(8) 0.2514(4) 1.  0 d
  O2    O2-    4 e 0.2310(4) 0.8754(8) 0.2344(5) 1.  0 d
  O3    O2-    4 e 0.3491(5) 0.6688(9) 0.6071(5) 1.  0 d
  O4    O2-    4 e 0.2787(4) 0.6633(8) 0.3944(5) 1.  0 d
  O5    O2-    4 e 0.3145(5) 0.6068(8) 0.2250(5) 1.  0 d
  O6    O2-    4 e 0.5133(5) 0.6767(11) 0.7527(5) 1.  0 d
  O7    O2-    4 e 0.5438(5) 0.0887(10) 0.3695(5) 1.  0 d
  O8    O2-    4 e 0.4246(4) 0.5514(8) 0.1232(6) 1.  0 d
  O9    O2-    4 e 0.4442(4) 0.6154(8) 0.8830(5) 1.  0 d
  O10   O2-    4 e 0.3980(4) 0.8739(8) 0.9491(5) 1.  0 d
  O11   O2-    4 e 0.3936(4) 0.2655(9) 0.0538(6) 1.  0 d
  O12   O2-    4 e 0.8895(4) 0.6430(8) 0.7660(5) 1.  0 d
  O13   O2-    4 e 0.2240(4) 0.1892(9) 0.1853(5) 1.  0 d
  O14   O2-    4 e 0.0425(4) 0.1768(9) 0.5788(5) 1.  0 d
  O15   O2-    4 e 0.6335(5) 0.0385(8) 0.5816(5) 1.  0 d
  O16   O2-    4 e 0.8815(5) 0.1618(10) 0.6108(6) 1.  2 d
  H1    H1+    4 e -1. -1. -1. 8.  0 dum
_refine_ls_R_factor_all            0.04
_cod_database_code 1007086
_journal_paper_doi 10.1107/S0567740882003458