#------------------------------------------------------------------------------
#$Date: 2017-10-06 18:24:22 +0200 (vie 06 de oct de 2017) $
#$Revision: 201816 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/60/9016078.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9016078
loop_
_publ_author_name
'Masse, R.'
'Guitel, J. C.'
'Durif, A.'
_publ_section_title
;
 Structure cristalline du tetrametaphosphate de praseodyme-ammonium,
 PrN H4 P4 O12. Donnees cristallographiques de Pr N H4 P4 O12
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              630
_journal_page_last               632
_journal_paper_doi               10.1107/S056774087700435X
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'N O12 P4 Pr'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.34
_cell_angle_gamma                90
_cell_length_a                   7.916
_cell_length_b                   12.647
_cell_length_c                   10.672
_cell_volume                     1001.794
_database_code_amcsd             0009583
_exptl_crystal_density_diffrn    3.122
_cod_original_formula_sum        'Pr P4 O12 N'
_cod_database_code               9016078
_amcsd_formula_title             'H4 N O12 P4 Pr'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-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,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pr1 0.00000 0.12086 0.25000
P1 0.46170 0.16900 0.50240
P2 0.28550 0.97900 0.56110
O1 0.40580 0.87560 0.56810
O2 0.43120 0.07220 0.58850
O3 0.29330 0.19860 0.39070
O4 0.56100 0.25230 0.59830
O5 0.22380 0.97270 0.67630
O6 0.15180 -0.01000 0.42440
N1 0.00000 0.81890 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009583
