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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/1/1007013.cif $
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#
# 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_1007013
_chemical_name_systematic          'ALUMINIUM AMMONIUM HYDROGENTRIPHOSPHATE'
_chemical_formula_structural       'AL (N H4) H P3 O10'
_chemical_formula_sum            'Al H5 N O10 P3'
_[local]_cod_chemical_formula_sum_orig 'H5 Al N O10 P3'
_publ_section_title
;
Structure cristalline d'un tripolyphosphate acide d'aluminium-ammonium:
Al (N H~4~) H P~3~ O~10~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    33
_journal_year                      1977
_journal_page_first                1436
_journal_page_last                 1438
_cell_length_a                     11.643(8)
_cell_length_b                     4.918(4)
_cell_length_c                     8.705(5)
_cell_angle_alpha                  90
_cell_angle_beta                   119.27(5)
_cell_angle_gamma                  90
_cell_volume                       434.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 2/a 1'
_symmetry_Int_Tables_number        13
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,-z'
  '-x,-y,-z'
  '1/2+x,-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Al3+   3.000
  P5+    5.000
  N3-   -3.000
  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
  Al1   Al3+   2 a 0. 0. 0. 1.  0 d
  P1    P5+    4 g 0.0023(2) 0.4997(6) 0.2277(3) 1.  0 d
  P2    P5+    2 e 0.25 0.7619(6) 0. 1.  0 d
  N1    N3-    2 f 0.25 0.011(3) 0.5 1.  4 d
  O1    O2-    4 g -0.0129(6) 0.209(1) 0.8091(7) 1.  0 d
  O2    O2-    4 g 0.4367(6) 0.454(1) 0.5746(7) 1.  0 d
  O3    O2-    4 g 0.0571(6) 0.301(1) 0.1490(7) 1.  0 d
  O4    O2-    4 g 0.3475(6) 0.563(1) 0.1491(8) 1.  0 d
  O5    O2-    4 g 0.1779(6) -0.080(1) 0.0728(8) 1.  1 d
  H1    H1+    2 f -1. -1. -1. 5.  0 dum
_refine_ls_R_factor_all            0.066
_cod_database_code 1007013