#------------------------------------------------------------------------------
#$Date: 2016-12-12 04:16:44 +0200 (Mon, 12 Dec 2016) $
#$Revision: 189062 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/70/2107009.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_2107009
loop_
_publ_author_name
'Jost, K. H.'
_publ_section_title
;
 Struktur eines Cyclopentaphosphates
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              732
_journal_page_last               738
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'N Na4 O18 P5'
_chemical_name_systematic        'Na4 (N H4) P5 O15 (H2 O)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.9
_cell_angle_beta                 106.1
_cell_angle_gamma                95.1
_cell_formula_units_Z            2
_cell_length_a                   8.73
_cell_length_b                   15.66
_cell_length_c                   6.81
_cell_volume                     886.764
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Jost_ACBCAR_1972_1865.cif
_cod_data_source_block           N1Na4O18P5
_cod_original_cell_volume        886.7643
_cod_original_formula_sum        'N1 Na4 O18 P5'
_cod_database_code               2107009
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-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
_atom_site_attached_hydrogens
Na2 Na+1 0.9624 0.0872 0.6206 1 0.0 0
O16 O-2 0.2431 0.1544 0.7766 1 0.0 2
O4 O-2 0.2081 0.1032 0.1708 1 0.0 0
N2 N-3 0.802 0.478 0.7895 0.5 0.0 4
Na3 Na+1 0.6744 0.1572 0.8427 1 0.0 0
O6 O-2 0.2773 0.012 0.4722 1 0.0 0
O17 O-2 0.4397 0.3964 0.9754 1 0.0 2
Na4 Na+1 0.5841 0.4931 0.2681 1 0.0 0
P4 P+5 0.155 0.2939 0.2875 1 0.0 0
O14 O-2 0.5049 0.4094 0.5098 1 0.0 0
N1 N-3 0.973 0.3328 0.7159 0.5 0.0 4
O12 O-2 0.0788 0.3651 0.356 1 0.0 0
Na1 Na+1 0.3237 0.006 0.819 1 0.0 0
P5 P+5 0.4921 0.3168 0.5327 1 0.0 0
O2 O-2 0.7653 0.1846 0.5383 1 0.0 0
O7 O-2 0.0469 0.206 0.2919 1 0.0 0
O18 O-2 0.8282 0.4696 0.2205 1 0.0 2
P3 P+5 0.0252 0.1166 0.1615 1 0.0 0
O15 O-2 0.5602 0.284 0.7328 1 0.0 0
O13 O-2 0.5569 0.2751 0.3577 1 0.0 0
O1 O-2 0.4773 0.1252 0.428 1 0.0 0
O11 O-2 0.1969 0.2995 0.0925 1 0.0 0
O10 O-2 0.3066 0.278 0.471 1 0.0 0
O8 O-2 0.946 0.1302 0.9492 1 0.0 0
P1 P+5 0.6199 0.1815 0.3617 1 0.0 0
O9 O-2 0.9543 0.0516 0.2718 1 0.0 0
P2 P+5 0.339 0.0499 0.3138 1 0.0 0
O5 O-2 0.6014 0.0041 0.8253 1 0.0 0
O3 O-2 0.6246 0.155 0.1539 1 0.0 0
