#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539952.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_1539952
loop_
_publ_author_name
'Wichelhaus, W.'
_publ_section_title
;
 The rare-earth oxide disulfides La2 O2 S2, Pr2 O2 S2, and Nd2 O2 S2
;
_journal_name_full               Naturwissenschaften
_journal_page_first              593
_journal_page_last               594
_journal_volume                  65
_journal_year                    1978
_chemical_formula_sum            'La2 O2 S2'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2ac'
_symmetry_space_group_name_H-M   'P c a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.935
_cell_length_b                   5.935
_cell_length_c                   13.216
_cell_volume                     465.523
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Wichelhaus_NATWAY_1978_101.cif
_cod_data_source_block           La2O2S2
_cod_original_cell_volume        465.5233
_cod_original_sg_symbol_Hall     '-P 2c 2b (y,-x,z)'
_cod_database_code               1539952
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y,-z
x+1/2,-y,-z+1/2
-x,-y,-z
x,y,-z-1/2
x-1/2,-y,z
-x-1/2,y,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
O2 O 0.25 0.486 0 1 0.0
O1 O 0.25 0.006 0 1 0.0
S2 S 0.3581 0.1332 0.25 1 0.0
S1 S 0.6099 0.3822 0.25 1 0.0
La1 La 0.0014 0.25 0.0892 1 0.0
