#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1007144.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_1007144
_chemical_name_systematic          'Rubidium dihydrogenphosphate'
_chemical_formula_structural       'Rb H2 P O4'
_chemical_formula_sum              'H2 O4 P Rb'
_publ_section_title
;
Structure of a New Form of Rubidium Dihydrogenphosphate, Rb H~2~ P O~4~
;
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                665
_journal_page_last                 667
_cell_length_a                     9.606(5)
_cell_length_b                     6.236(5)
_cell_length_c                     7.738(5)
_cell_angle_alpha                  90
_cell_angle_beta                   109.07(5)
_cell_angle_gamma                  90
_cell_volume                       438.1
_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
  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 e 0.28464(6) 0.2383(1) 0.26559(8) 1.  0 d
  P1    P5+    4 e 0.4823(1) 0.2458(4) 0.7577(2) 1.  0 d
  O1    O2-    4 e 0.4452(4) 0.7551(10) 0.3979(5) 1.  0 d
  O2    O2-    4 e 0.9307(5) 0.5839(8) 0.0944(7) 1.  0 d
  O3    O2-    4 e 0.6751(4) 0.8198(9) 0.3312(7) 1.  0 d
  O4    O2-    4 e 0.0010(6) 0.9747(9) 0.1618(7) 1.  0 d
  H1    H1+    4 e 0.501(9) 0.55(1) 0.07(1) 1.  0 d
  H2    H1+    4 e 0.346(9) 0.74(2) 0.37(1) 1.  0 d
_refine_ls_R_factor_all            0.032