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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007008.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_1007008
_chemical_name_systematic          'DIAMMONIUM SILICON TETRAPHOSPHATE'
_chemical_formula_structural       '(N H4)2 SI P4 O13'
_chemical_formula_sum              'H8 N2 O13 P4 Si'
_publ_section_title
;
Structure cristalline de $(N H~4~)~2~ Si P~4~ O~13~: un nouvel exemple
de silicium hexacoordine
;
loop_
_publ_author_name
  'Durif, A'
  'Averbuch-Pouchot, M T'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    32
_journal_year                      1976
_journal_page_first                2957
_journal_page_last                 2960
_cell_length_a                     15.14(1)
_cell_length_b                     7.684(5)
_cell_length_c                     4.861(5)
_cell_angle_alpha                  97.86(1)
_cell_angle_beta                   96.74(1)
_cell_angle_gamma                  83.89(1)
_cell_volume                       554.0
_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
  Si4+   4.000
  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
  Si1   Si4+   2 i 0.75896(6) 0.0618(1) 0.0439(2) 1.  0 d
  P1    P5+    2 i 0.85025(5) 0.2134(1) 0.6039(1) 1.  0 d
  P2    P5+    2 i 0.69218(6) 0.4094(1) 0.8195(2) 1.  0 d
  P3    P5+    2 i 0.78874(5) 0.6806(1) 0.1797(2) 1.  0 d
  P4    P5+    2 i 0.66334(5) 0.9138(1) 0.4800(1) 1.  0 d
  O1    O2-    2 i 0.9367(2) 0.2872(3) 0.6948(5) 1.  0 d
  O2    O2-    2 i 0.8281(1) 0.0764(3) 0.7814(4) 1.  0 d
  O3    O2-    2 i 0.8445(1) 0.1365(3) 0.2960(4) 1.  0 d
  O4    O2-    2 i 0.7704(2) 0.3706(3) 0.6272(5) 1.  0 d
  O5    O2-    2 i 0.6032(2) 0.4221(3) 0.6638(5) 1.  0 d
  O6    O2-    2 i 0.7093(1) 0.2806(3) 0.0342(4) 1.  0 d
  O7    O2-    2 i 0.7076(1) 0.6003(3) 0.9791(4) 1.  0 d
  O8    O2-    2 i 0.8654(2) 0.5528(3) 0.2301(5) 1.  0 d
  O9    O2-    2 i 0.8076(1) 0.8417(3) 0.0537(4) 1.  0 d
  O10   O2-    2 i 0.7414(1) 0.7522(3) 0.4523(4) 1.  0 d
  O11   O2-    2 i 0.5748(2) 0.8509(3) 0.3834(5) 1.  0 d
  O12   O2-    2 i 0.6894(1) 0.0485(3) 0.3060(4) 1.  0 d
  O13   O2-    2 i 0.6721(1) 0.9846(3) 0.7892(4) 1.  0 d
  N1    N3-    2 i 0.4940(2) 0.7438(4) 0.8266(6) 1.  4 d
  N2    N3-    2 i 0.0322(2) 0.3140(5) 0.2310(6) 1.  4 d
  H1    H1+    2 i -1. -1. -1. 8.  0 dum
_refine_ls_R_factor_all            0.035