#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/06/2310645.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_2310645
loop_
_publ_author_name
'Ondik, H.M.'
_publ_section_title
;
 The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the
 monohydrate Na3 P3 O9 (H2 O)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              226
_journal_page_last               232
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'Na3 O9 P3'
_chemical_name_systematic        'Na3 P3 O9'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.928
_cell_length_b                   13.214
_cell_length_c                   7.708
_cell_volume                     807.495
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Ondik_ACCRA9_1965_1861.cif
_cod_data_source_block           Na3O9P3
_cod_original_cell_volume        807.4946
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_database_code               2310645
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,y,z
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
O1 O-2 0.25 0.027 0.1685 1 0.0
O4 O-2 0.0926 0.1094 0.9272 1 0.0
O2 O-2 0.75 0.0527 0.1387 1 0.0
Na2 Na+1 0.4946 0.0735 0.3177 1 0.0
P2 P+5 0.0676 0.1713 0.7466 1 0.0
O5 O-2 0.0365 0.0986 0.6048 1 0.0
O3 O-2 0.25 0.2233 0.7261 1 0.0
Na1 Na+1 0.75 0.2241 0.0356 1 0.0
O6 O-2 -0.0573 0.2522 0.7815 1 0.0
P1 P+5 0.25 0.0381 -0.0232 1 0.0
