#------------------------------------------------------------------------------
#$Date: 2015-10-09 11:35:23 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161493 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/46/1534620.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_1534620
loop_
_publ_author_name
'Lissner, F.'
'Schleid, T.'
_publ_section_title
;
 Pr4 N2 S3 und Pr4 N2 Se3: Zwei nicht-isotype
 Praseodymium(III)-Nitridchalkogenide
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              427
_journal_page_last               432
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'N2 Pr4 S3'
_chemical_name_systematic        'Pr4 N2 S3'
_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                 134.546
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.8857
_cell_length_b                   9.8604
_cell_length_c                   12.6649
_cell_volume                     1591.847
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lissner_ZAACAB_2005_877.cif
_cod_data_source_block           N2Pr4S3
_cod_database_code               1534620
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S4 S-2 0.25 0.25 0.5 1 0.0
Pr2 Pr+3 0.13444 0.05083 0.5222 1 0.0
N1 N-3 0.0849 0.2685 0.5378 1 0.0
Pr3 Pr+3 0.32321 0.04244 0.43649 1 0.0
N2 N-3 0.1921 0.4952 0.2582 1 0.0
Pr4 Pr+3 0.38438 0.19806 0.255 1 0.0
S1 S-2 0 0.4784 0.25 1 0.0
Pr1 Pr+3 0.09176 0.29766 0.18418 1 0.0
S3 S-2 0.09841 0.0032 0.2246 1 0.0
S2 S-2 0.13926 0.2515 0.0072 1 0.0
