#------------------------------------------------------------------------------
#$Date: 2015-10-09 23:13:57 +0200 (vie 09 de oct de 2015) $
#$Revision: 163342 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/58/1535853.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_1535853
loop_
_publ_author_name
'Dougill, M.W.'
_publ_section_title
;
 Phosphonitrilic Derivates. Part X. The Crystal Structure of Trimeric
 Phosphonitrilic Fluoride
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              3211
_journal_page_last               3217
_journal_volume                  1963
_journal_year                    1963
_chemical_formula_sum            'F6 N3 P3'
_chemical_name_systematic        '(P N F2)3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.948
_cell_length_b                   12.19
_cell_length_c                   8.723
_cell_volume                     738.804
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Dougill_JCSOA9_1963_1482.cif
_cod_data_source_block           F6N3P3
_cod_original_cell_volume        738.8042
_cod_database_code               1535853
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
F4 F-1 -0.3159 0.25 0.0153 1 0.0
P2 P+5 -0.1042 0.25 0.061 1 0.0
N2 N-3 0.2668 0.25 -0.1433 1 0.0
F2 F-1 0.1359 0.0679 -0.2307 1 0.0
P1 P+5 0.174 0.1385 -0.0906 1 0.0
F3 F-1 -0.1297 0.25 0.2347 1 0.0
N1 N-3 -0.0107 0.1405 0.0117 1 0.0
F1 F-1 0.3266 0.0692 -0.1236 1 0.0
