#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1007145.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_1007145
_chemical_name_systematic
;
Pentarubidium heptahydrogentetrakis(phosphate)
;
_chemical_formula_structural       'Rb5 H7 (P O4)4'
_chemical_formula_sum              'H7 O16 P4 Rb5'
_publ_section_title
;
Structure of pentarubidium heptahydrogentetrakis(phosphate)
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    41
_journal_year                      1985
_journal_page_first                1555
_journal_page_last                 1556
_cell_length_a                     28.57(6)
_cell_length_b                     10.277(5)
_cell_length_c                     6.090(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1788.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n a m'
_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'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,y,1/2-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  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
  Rb1   Rb1+   4 c 0.37420(6) 0.1766(2) 0.75 1.  0 d
  Rb2   Rb1+   4 c 0.42038(7) 0.4120(2) 0.25 1.  0 d
  Rb3   Rb1+   4 c 0.06097(7) 0.2912(2) 0.25 1.  0 d
  Rb4   Rb1+   4 c 0.28078(7) 0.1424(2) 0.25 1.  0 d
  Rb5   Rb1+   4 c 0.19212(7) 0.2376(2) 0.75 1.  0 d
  P1    P5+    4 c 0.2248(2) 0.4547(6) 0.25 1.  0 d
  P2    P5+    4 c -0.0039(2) 0.1908(6) 0.75 1.  0 d
  P3    P5+    4 c 0.3474(2) 0.5170(6) 0.75 1.  0 d
  P4    P5+    4 c 0.4142(2) 0.0131(6) 0.25 1.  0 d
  O1    O2-    4 c 0.2796(5) 0.096(2) 0.75 1.  0 d
  O2    O2-    4 c 0.1732(5) 0.396(2) 0.25 1.  0 d
  O3    O2-    8 d 0.2480(3) 0.401(1) 0.044(2) 1.  0 d
  O4    O2-    8 d 0.4773(4) 0.248(1) 0.956(2) 1.  0 d
  O5    O2-    4 c 0.9848(5) 0.040(1) 0.75 1.  0 d
  O6    O2-    4 c 0.0501(4) 0.186(1) 0.75 1.  0 d
  O7    O2-    8 d 0.3333(4) 0.434(1) 0.543(2) 1.  0 d
  O8    O2-    4 c 0.1777(5) 0.143(2) 0.25 1.  0 d
  O9    O2-    4 c 0.1010(5) 0.025(2) 0.25 1.  0 d
  O10   O2-    8 d 0.0536(3) 0.522(1) 0.958(2) 1.  0 d
  O11   O2-    4 c 0.1049(4) 0.375(1) 0.75 1.  0 d
  O12   O2-    4 c 0.3792(4) 0.118(1) 0.25 1.  0 d
  H1    H1+    4 ? -1. -1. -1. 7.  0 dum
_refine_ls_R_factor_all            0.056
_cod_database_code 1007145