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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/67/1526730.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_1526730
loop_
_publ_author_name
'Kosterina, E.V.'
'Rybakov, V.B.'
'Troyanov, S.I.'
'Kemnitz, E.'
_publ_section_title
;
 Crystal structure of two modifications of sodium hydrogen phosphate Na H5
 (P O4)2
;
_journal_name_full               Kristallografiya
_journal_page_first              620
_journal_page_last               624
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'H5 Na O8 P2'
_chemical_name_systematic        'Na (H2 P O4) (H3 P O4)'
_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                 90.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.484
_cell_length_b                   7.842
_cell_length_c                   10.353
_cell_volume                     688.775
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Kosterina_KRISAJ_2000_174.cif
_cod_data_source_block           H5Na1O8P2
_cod_original_cell_volume        688.7747
_cod_original_formula_sum        'H5 Na1 O8 P2'
_cod_database_code               1526730
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
O3 O-2 0.3853 0.843 0.6096 1 0.0
O8 O-2 0.0016 0.7145 0.0756 1 0.0
O6 O-2 0.1504 0.8965 0.9396 1 0.0
H1 H+1 0.426 0.849 0.548 1 0.0
O4 O-2 0.5369 -0.0478 0.8012 1 0.0
H5 H+1 -0.023 0.635 0.087 1 0.0
O2 O-2 0.2607 0.0556 0.755 1 0.0
Na1 Na+1 0.221 0.5869 0.6633 1 0.0
P2 P+5 0.0388 0.7416 0.9299 1 0.0
H3 H+1 0.173 0.947 0.868 1 0.0
O5 O-2 0.1047 0.5869 0.8656 1 0.0
O1 O-2 0.4879 0.1474 0.6162 1 0.0
H4 H+1 0.845 0.721 0.818 1 0.0
H2 H+1 0.526 0.869 0.832 1 0.0
O7 O-2 0.8863 0.8046 0.858 1 0.0
P1 P+5 0.4158 0.0056 0.6939 1 0.0
