#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107016.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107016
loop_
_publ_author_name
'Klepp, K.O.'
'Parthe, E.'
_publ_section_title
;
 R Pt Si phases (R = La, Ce, Pr, Nd, Sm and Gd) with an ordered Th Si2
 derivative structure
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1105
_journal_page_last               1108
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'La Pt Si'
_space_group_IT_number           109
_symmetry_space_group_name_Hall  'I 4bw -2'
_symmetry_space_group_name_H-M   'I 41 m d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.249
_cell_length_b                   4.249
_cell_length_c                   14.539
_cell_volume                     262.487
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Klepp_ACBCAR_1982_1728.cif
_cod_data_source_block           La1Pt1Si1
_cod_original_cell_volume        262.4871
_cod_original_formula_sum        'La1 Pt1 Si1'
_cod_database_code               2107016
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/4
-x+1/2,-y+1/2,z+1/2
y+1/2,-x,z+3/4
-x,y,z
-y,-x+1/2,z+1/4
x+1/2,-y+1/2,z+1/2
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
-y+1/2,x+1,z+3/4
-x+1,-y+1,z+1
y+1,-x+1/2,z+5/4
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1,z+3/4
x+1,-y+1,z+1
y+1,x+1/2,z+5/4
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
Pt1 Pt+2 0 0 0.419 0.02 0.0
Si1 Si-4 0 0 0.419 0.98 0.0
La1 La+2 0 0 0 1 0.0
Si2 Si-4 0 0 0.585 0.02 0.0
Pt2 Pt+2 0 0 0.585 0.98 0.0
