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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/2/10/69/2106977.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106977
loop_
_publ_author_name
'Hazell, R.G.'
'Hazell, A.C.'
'Kratochvil, B.'
_publ_section_title
;
 Structure of Sodium Hydrogenphosphite
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1267
_journal_page_last               1269
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'H2.5 Na0.5 O3 P'
_chemical_name_systematic        'Na.5 H2.5 P O3'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.908
_cell_length_b                   5.908
_cell_length_c                   9.554
_cell_volume                     288.800
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Hazell_ACBCAR_1982_1715.cif
_cod_data_source_block           H2.5Na0.5O3P1
_cod_original_cell_volume        288.7998
_cod_original_formula_sum        'H2.5 Na0.5 O3 P1'
_cod_database_code               2106977
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,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
P1 P+3 0.6667 0.3333 0.5964 1 0.0
Na1 Na+1 0 0 0 1 0.0
H2 H+1 0.389 0.335 0.678 0.5 0.0
O1 O-2 0.38801 0.25546 0.64008 1 0.0
H1 H+1 0.6667 0.3333 0.468 1 0.0
