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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/83/1008343.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_1008343
_chemical_name_systematic          'Bismuth ammonium hydro tripolyphosphate'
_chemical_formula_structural       'Bi H N H4 P3 O10'
_chemical_formula_sum            'Bi H5 N O10 P3'
_[local]_cod_chemical_formula_sum_orig 'H5 Bi N O10 P3'
_publ_section_title
;
Structural investigations of two bismuth-ammonium condensed phosphates:
Bi H N H~4~ P~3~ O~10~ and Bi N H~4~ (P O~3~)~4~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Bagieu-Beucher, M'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_coden_ASTM                ZAACAB
_journal_volume                    552
_journal_year                      1987
_journal_page_first                171
_journal_page_last                 180
_cell_length_a                     7.032(8)
_cell_length_b                     7.696(4)
_cell_length_c                     8.659(3)
_cell_angle_alpha                  106.20(4)
_cell_angle_beta                   105.86(4)
_cell_angle_gamma                  82.78(4)
_cell_volume                       432.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  P5+    5.000
  O2-   -2.000
  N3-   -3.000
  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
  Bi1   Bi3+   2 i 0.22781(5) 0.63299(4) -0.01032(4) 1.  0 d
  P1    P5+    2 i 0.3237(3) 0.3030(3) 0.1552(3) 1.  0 d
  P2    P5+    2 i 0.1455(3) 0.0382(3) 0.8586(3) 1.  0 d
  P3    P5+    2 i 0.3298(3) 0.2329(3) 0.6883(3) 1.  0 d
  O1    O2-    2 i 0.592(1) 0.7075(11) 0.6703(9) 1.  0 d
  O2    O2-    2 i 0.461(1) 0.363(1) 0.0724(9) 1.  0 d
  O3    O2-    2 i 0.868(1) 0.5745(9) 0.8709(9) 1.  0 d
  O4    O2-    2 i 0.734(1) 0.9028(9) 0.9523(8) 1.  0 d
  O5    O2-    2 i 0.958(1) 0.1506(10) 0.8313(9) 1.  0 d
  O6    O2-    2 i 0.867(1) 0.1629(9) 0.1825(9) 1.  0 d
  O7    O2-    2 i 0.713(1) 0.9293(9) 0.2439(9) 1.  0 d
  O8    O2-    2 i 0.548(1) 0.2537(11) 0.7398(9) 1.  0 d
  O9    O2-    2 i 0.198(1) 0.3992(10) 0.7411(10) 1.  0 d
  O10   O2-    2 i 0.254(1) 0.1486(12) 0.4988(10) 1.  0 d
  N1    N3-    2 i 0.200(2) 0.706(2) 0.470(1) 1.  0 d
  H1    H1+    2 ? -1. -1. -1. 5.  0 dum
_refine_ls_R_factor_all            0.056
_cod_database_code 1008343
_journal_paper_doi 10.1002/zaac.19875520919