#------------------------------------------------------------------------------
#$Date: 2015-09-18 01:42:02 +0200 (vie 18 de sep de 2015) $
#$Revision: 157416 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/18/1531836.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_1531836
loop_
_publ_author_name
'Morozkin, A.V.'
'Welter, R.'
_publ_section_title
;
 New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties
 (R = Gd - Er)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              L1
_journal_page_last               L3
_journal_volume                  348
_journal_year                    2003
_chemical_formula_sum            'Gd1.9 Si4 Ti3'
_chemical_name_systematic        'Gd1.9 Ti3 Si4'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.997
_cell_length_b                   6.997
_cell_length_c                   12.878
_cell_volume                     630.481
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Morozkin_JALCEU_2003_1278.cif
_cod_data_source_block           Gd1.9Si4Ti3
_cod_original_cell_volume        630.4813
_cod_database_code               1531836
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-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
Ti1 Ti 0.33 0.33 0 1 0.0
Gd1 Gd 0.343 0.006 0.4677 0.95 0.0
Si1 Si 0.212 0.138 0.685 1 0.0
Ti2 Ti 0.166 0.001 0.864 1 0.0
Si2 Si 0.279 0.966 0.051 1 0.0
