#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/60/1536073.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_1536073
loop_
_publ_author_name
'Cleary, D.A.'
'Twamley, B.'
_publ_section_title
;
 Synthesis and structure of a new layered phase in the lanthanide
 thiophosphates: Lu P S4
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              183
_journal_page_last               186
_journal_volume                  353
_journal_year                    2003
_chemical_formula_sum            'Lu P S4'
_chemical_name_systematic        'Lu (P S4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.62
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1373
_cell_length_b                   6.425
_cell_length_c                   10.6289
_cell_volume                     550.795
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Cleary_ICHAA3_2003_876.cif
_cod_data_source_block           Lu1P1S4
_cod_original_cell_volume        550.7945
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Lu1 P1 S4'
_cod_database_code               1536073
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
P1 P+5 0.23611 0.2734 0.53379 1 0.0
S4 S-2 0.38424 0.0513 0.62939 1 0.0
Lu1 Lu+3 -0.10444 0.17711 0.334075 1 0.0
S2 S-2 0.21955 0.2546 0.34476 1 0.0
S3 S-2 0.3441 0.5432 0.60835 1 0.0
S1 S-2 0.00383 0.2347 0.58927 1 0.0
