#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/34/1523409.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_1523409
loop_
_publ_author_name
'Clearfield, A.'
'Troup, J.M.'
_publ_section_title
;
 On the mechanism of ion exchange in crystalline zirconium phosphates.
 VII. The crystal structure of alpha-zirconium bis(ammonium
 orthophosphate) monohydrate
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              243
_journal_page_last               247
_journal_volume                  77
_journal_year                    1973
_chemical_formula_sum            'H10 N2 O9 P2 Zr'
_chemical_name_systematic        'Zr ((N H4) (P O4))2 H2 O'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.131
_cell_length_b                   5.417
_cell_length_c                   23.5
_cell_volume                     930.140
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Clearfield_JPCHAX_1973_139.cif
_cod_data_source_block           H10N2O9P2Zr1
_cod_original_cell_volume        930.1395
_cod_original_formula_sum        'H10 N2 O9 P2 Zr1'
_cod_database_code               1523409
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
O5 O-2 0.793 -0.014 0.087 1 0.0
P1 P+5 0.231 0.252 0.0845 1 0.0
O7 O-2 0.193 0.248 0.327 1 0.0
N1 N-3 0.471 0.283 0.295 1 0.0
P2 P+5 0.283 0.235 0.405 1 0.0
O6 O-2 0.21 0.02 0.424 1 0.0
O9 O-2 0.845 0.23 0.338 1 0.0
O2 O-2 0.202 0.019 0.04 1 0.0
O8 O-2 0.496 0.247 0.453 1 0.0
Zr1 Zr+4 0.7717 0.2504 0.5142 1 0.0
O4 O-2 0.404 0.253 0.163 1 0.0
N2 N-3 0.811 0.238 0.212 1 0.0
O1 O-2 0.053 0.251 0.082 1 0.0
O3 O-2 0.733 -0.023 0.444 1 0.0
