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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008291.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_1008291
_chemical_name_systematic          'Trizinc dirubidium diphosphate'
_chemical_formula_structural       'Zn3 Rb2 (P2 O7)2'
_chemical_formula_sum              'O14 P4 Rb2 Zn3'
_publ_section_title
;
Crystal data on Zn~3~ Rb~2~ (P~2~ O~7~)~2~ and Co~3~ Rb~2~ (P~2~
O~7~)~2~
;
loop_
_publ_author_name                  'Averbuch-Pouchot, M T'
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_coden_ASTM                ZEKRDZ
_journal_volume                    171
_journal_year                      1985
_journal_page_first                113
_journal_page_last                 119
_cell_length_a                     13.22(1)
_cell_length_b                     7.224(6)
_cell_length_c                     7.196(5)
_cell_angle_alpha                  90
_cell_angle_beta                   92.08
_cell_angle_gamma                  90
_cell_volume                       686.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21 1'
_symmetry_Int_Tables_number        4
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Rb1+   1.000
  Zn2+   2.000
  P5+    5.000
  O2-   -2.000
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+   2 a 0.09409(8) 0.4927(2) 0.3890(2) 1.  0 d
  Rb2   Rb1+   2 a 0.41692(9) 0.2508(2) 0.9468(2) 1.  0 d
  Zn1   Zn2+   2 a 0.09781(8) 0. 0.2090(2) 1.  0 d
  Zn2   Zn2+   2 a 0.26327(9) 0.6200(2) 0.7920(2) 1.  0 d
  Zn3   Zn2+   2 a 0.38737(10) 0.0898(2) 0.4518(2) 1.  0 d
  P1    P5+    2 a 0.3882(2) 0.5129(4) 0.4328(3) 1.  0 d
  P2    P5+    2 a 0.3103(2) 0.7885(4) 0.1647(3) 1.  0 d
  P3    P5+    2 a 0.1834(2) 0.9842(4) 0.6350(3) 1.  0 d
  P4    P5+    2 a 0.1075(2) 0.2753(4) 0.8883(3) 1.  0 d
  O1    O2-    2 a 0.3656(7) 0.508(2) 0.636(1) 1.  0 d
  O2    O2-    2 a 0.4909(7) 0.590(2) 0.391(1) 1.  0 d
  O3    O2-    2 a 0.3661(13) 0.331(2) 0.338(2) 1.  0 d
  O4    O2-    2 a 0.3050(7) 0.651(1) 0.337(1) 1.  0 d
  O5    O2-    2 a 0.2009(8) 0.837(2) 0.126(1) 1.  0 d
  O6    O2-    2 a 0.3776(9) 0.946(1) 0.225(1) 1.  0 d
  O7    O2-    2 a 0.3541(7) 0.684(1) 0.005(1) 1.  0 d
  O8    O2-    2 a 0.1679(6) 0.778(1) 0.658(1) 1.  0 d
  O9    O2-    2 a 0.1259(7) 0.068(1) 0.471(1) 1.  0 d
  O10   O2-    2 a 0.2947(7) 0.040(2) 0.647(1) 1.  0 d
  O11   O2-    2 a 0.1304(7) 0.072(1) 0.816(1) 1.  0 d
  O12   O2-    2 a 0.0213(8) 0.347(2) 0.767(1) 1.  0 d
  O13   O2-    2 a 0.0801(8) 0.236(1) 0.087(1) 1.  0 d
  O14   O2-    2 a 0.2008(9) 0.392(1) 0.877(2) 1.  0 d
_refine_ls_R_factor_all            0.043
_cod_database_code 1008291