#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1007138.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_1007138
_chemical_name_systematic
;
Telluric acid rubidium hydrogenphosphate dihydrogenphosphate
;
_chemical_formula_structural       'TE (O H)6 RB2 (H P O4) RB (H2 P O4)'
_chemical_formula_sum              'H9 O14 P2 Rb3 Te'
_publ_section_title
;
Structure cristalline d'un phospho-tellurate de rubidium: Te (O H)~6~
Rb~2~ (H P O~4~) Rb (H~2~ P O~4~)
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
  'Guitel, J C'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    14
_journal_year                      1979
_journal_page_first                1219
_journal_page_last                 1223
_cell_length_a                     12.26(1)
_cell_length_b                     7.059(3)
_cell_length_c                     8.225(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90.32(5)
_cell_angle_gamma                  90
_cell_volume                       711.8
_cell_formula_units_Z              2
_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+   2 a 0. 0. 0. 1.  0 d
  Rb1   Rb1+   2 c 0. 0. 0.5 1.  0 d
  Rb2   Rb1+   4 e 0.31319(7) 0.0028(2) 0.1671(1) 1.  0 d
  P1    P5+    4 e 0.3345(2) 0.0151(4) 0.6498(3) 1.  0 d
  O1    O2-    4 e 0.1054(5) 0.4995(10) 0.1896(7) 1.  0 d
  O2    O2-    4 e 0.0694(6) 0.1288(10) 0.1783(8) 1.  1 d
  O3    O2-    4 e 0.0271(6) 0.2046(10) 0.8557(8) 1.  1 d
  O4    O2-    4 e 0.8618(5) 0.1093(11) 0.0566(9) 1.  1 d
  O5    O2-    4 e 0.2263(5) -0.0938(10) 0.6462(8) 1.  0 d
  O6    O2-    4 e 0.0955(6) 0.4500(9) 0.4967(8) 1.  0 d
  O7    O2-    4 e 0.3116(6) 0.2354(9) 0.6268(9) 1.  0 d
  H1    H1+    4 e -1. -1. -1. 4.5  0 dum
_refine_ls_R_factor_all            0.051