#------------------------------------------------------------------------------
#$Date: 2016-12-12 03:31:08 +0100 (lun 12 de dic de 2016) $
#$Revision: 189063 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310554.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_2310554
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. IV. (N H4)4 P4 O12
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              675
_journal_page_last               676
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'H16 N4 O12 P4'
_chemical_name_systematic        '(N H4)4 P4 O12'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.42
_cell_length_b                   10.82
_cell_length_c                   12.78
_cell_volume                     1440.873
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cruickshank_ACCRA9_1964_178.cif
_cod_data_source_block           H16N4O12P4
_cod_database_code               2310554
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x,-y+1/2,z-1/2
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
N1 N-3 0.25 0.2696 0.25 1 0.0 4
N2 N-3 0 0.3144 -0.0437 1 0.0 4
P2 P+5 0.21 0 0 1 0.0 0
O3 O-2 0.282 -0.0931 0.0635 1 0.0 0
O4 O-2 0.1216 0.0774 0.0758 1 0.0 0
P1 P+5 0 0.0341 0.15 1 0.0 0
O1 O-2 0 -0.1011 0.2196 1 0.0 0
O2 O-2 0 0.1248 0.2413 1 0.0 0
