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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/8/10/38/8103854.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_8103854
loop_
_publ_author_name
'Schleid, T.'
'Meyer, M.'
_publ_section_title
;
 Cystal structure of tetrapraseodymium(III) nitride trisulfide trichloride
 , Pr4 N S3 Cl3
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              187
_journal_page_last               187
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Cl3 N Pr4 S3'
_chemical_name_systematic        'Pr4 N S3 Cl3'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.269
_cell_length_b                   9.269
_cell_length_c                   6.882
_cell_volume                     512.048
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Schleid_ZEKRDZ_1996_1869.cif
_cod_data_source_block           Cl3N1Pr4S3
_cod_original_cell_volume        512.0485
_cod_original_formula_sum        'Cl3 N1 Pr4 S3'
_cod_database_code               8103854
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,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
Cl1 Cl-1 0.86997 0.13003 0.3592 1 0.0
S1 S-2 0.53109 0.46891 0.0312 1 0.0
Pr2 Pr+3 0.79968 0.20032 0.75 1 0.0
Pr1 Pr+3 0.66667 0.33333 0.29426 1 0.0
N1 N-3 0.66667 0.33333 0.637 1 0.0
