#------------------------------------------------------------------------------
#$Date: 2022-09-15 12:05:42 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277869 $
#$URL: file:///home/coder/svn-repositories/cod/cif/6/00/06/6000643.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_6000643
loop_
_publ_author_name
'Horstmann, S.'
'Irran, E.'
'Schnick, W.'
_publ_section_title
;
 Phosphorus(V) nitride alpha-P3N5: Synthesis starting from
 tetraaminophosphonium iodide and crystal structure determination by
 synchrotron powder diffraction
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              620
_journal_page_last               628
_journal_paper_doi
10.1002/(SICI)1521-3749(199804)624:4<620::AID-ZAAC620>3.0.CO;2-K
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'N5 P3'
_chemical_formula_weight         163.0
_chemical_temperature_decomposition_gt 1073.15
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 115.809(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   8.12077(4)
_cell_length_b                   5.83433(4)
_cell_length_c                   9.16005(5)
_cell_volume                     390.71
_diffrn_radiation_wavelength     0.99963(4)
_diffrn_reflns_number            699
_exptl_absorpt_coefficient_mu    5.283
_exptl_crystal_F_000             320
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               6000643
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P(1) 0.0 0.5182(3) 0.0 36(4)
P(2) 0.136(1) 0.2000(8) 0.309(1) 36(4)
P(3) 0.365(2) 0.2924(8) 0.196(1) 36(4)
N(1) 0.009(2) -0.003(2) 0.269(1) 17(7)
N(2) 0.129(1) 0.341(1) 0.450(1) 17(7)
N(3) 0.370(1) 0.119(1) 0.066(1) 17(7)
N(4) 0.142(2) 0.351(2) 0.147(1) 17(7)
N(5) 0.356(2) 0.135(2) 0.348(1) 17(7)
