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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/70/1537055.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_1537055
loop_
_publ_author_name
'Kraus, F.'
'Aschenbrenner, J.C.'
'Korber, N.'
_publ_section_title
;
 P4(2-): A 6-pi aromatic polyphosphide in dicesium
 cyclotetraphosphide-ammonia(1/2)
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              4030
_journal_page_last               4033
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'Cs2 H6 N2 P4'
_chemical_name_systematic        '(Cs2 P4) (N H3)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.18
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.658
_cell_length_b                   12.579
_cell_length_c                   6.7026
_cell_volume                     539.115
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Kraus_ACIEF5_2003_1019.cif
_cod_data_source_block           H6Cs2N2P4
_cod_original_cell_volume        539.1149
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'H6 Cs2 N2 P4'
_cod_database_code               1537055
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
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
N1 N-3 0.3873 0.304 0.5802 1 0.0
P1 P 0.35147 0.02212 -0.21227 1 0.0
P2 P 0.10645 0.39354 -0.00651 1 0.0
H3 H+1 0.287 0.348 0.529 1 0.0
H2 H+1 0.493 0.353 0.651 1 0.0
Cs1 Cs 0.17252 0.122514 0.23934 1 0.0
H1 H+1 0.365 0.276 0.666 1 0.0
