#------------------------------------------------------------------------------
#$Date: 2016-09-16 14:55:27 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186592 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/48/1534842.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_1534842
loop_
_publ_author_name
'Lyakhov, A.S.'
'Palkina, K.K.'
'Selevich, A.F.'
_publ_section_title
;
 Crystal structure of ammonium triphosphate hydrate (N H4)5 P3 O10 .(H2 O)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1438
_journal_page_last               1442
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'H22 N5 O11 P3'
_chemical_name_systematic        '(N H4)5 (P3 O10) (H2 O)'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.429
_cell_length_b                   10.326
_cell_length_c                   11.013
_cell_volume                     731.107
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Lyakhov_ZNOKAQ_1994_1452.cif
_cod_data_source_block           H22N5O11P3
_cod_original_cell_volume        731.1074
_cod_original_sg_symbol_Hall     'P -2yc (x-z,y,z)'
_cod_database_code               1534842
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
O6 O-2 0.1507 0.1137 -0.0019 1 0.0 0
O9 O-2 0.0015 0.284 -0.1379 1 0.0 0
O10 O-2 0.0992 0.3339 0.0811 1 0.0 0
O4 O-2 0.3358 -0.0752 -0.0842 1 0.0 0
O3 O-2 0.0752 0.5214 -0.1476 1 0.0 0
P3 P+5 0.1345 0.3967 -0.2058 1 0.0 0
O2 O-2 -0.0229 -0.02 -0.1671 1 0.0 0
N5 N-3 0.0742 -0.1057 0.3023 1 0.0 4
N3 N-3 -0.3701 0.3744 -0.4093 1 0.0 4
O8 O-2 -0.2174 0.1928 0.0296 1 0.0 0
O5 O-2 0.0231 -0.1094 0.0471 1 0.0 0
N2 N-3 0.1413 0.4907 0.4411 1 0.0 4
O1 O-2 0.059 0.384 -0.3372 1 0.0 0
O11 O-2 -0.4615 -0.2728 -0.1802 1 0.0 2
N1 N-3 0.4876 0.2611 0.1983 1 0.0 4
N4 N-3 0.6039 -0.1113 0.1139 1 0.0 4
P2 P+5 0.1145 -0.0318 -0.0551 1 0.0 0
O7 O-2 0.3641 0.3601 -0.1955 1 0.0 0
P1 P+5 0 0.2353 0 1 0.0 0
