#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310552.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_2310552
loop_
_publ_author_name
'Cruickshank, D.W.J.'
_publ_section_title
;
 Refinements of structures containing bonds between Si, P, S or Cl and O
 or N.
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              672
_journal_page_last               673
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'H20 Na4 O17 P2'
_chemical_name_systematic        'Na4 (P2 O7) (H2 O)10'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.52
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.93
_cell_length_b                   6.96
_cell_length_c                   14.85
_cell_volume                     1628.291
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cruickshank_ACCRA9_1964_146.cif
_cod_data_source_block           H20Na4O17P2
_cod_original_cell_volume        1628.292
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_database_code               2310552
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,-y+1/2,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
Na2 Na+1 0.3846 0.9093 0.0835 1 0.0
O5 O-2 0.1 0.5899 0.0488 1 0.0
O3 O-2 0.0779 0.1105 0.1579 1 0.0
O7 O-2 0.2699 0.4145 0.0235 1 0.0
O2 O-2 0.0249 0.4447 0.1547 1 0.0
P1 P+5 0.0656 0.2675 0.2172 1 0.0
O4 O-2 0.1441 0.3178 0.3171 1 0.0
O1 O-2 0 0.177 0.25 1 0.0
Na1 Na+1 0.2408 0.6928 0.1352 1 0.0
O8 O-2 0.3909 0.7384 0.2239 1 0.0
O6 O-2 0.2387 -0.0101 0.2162 1 0.0
O9 O-2 0.4169 0.6172 0.0271 1 0.0
