#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/43/1524362.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_1524362
loop_
_publ_author_name
'Fischer, R.'
'Schlapbach, L.'
'Haelg, W.'
'Andresen, A.F.'
'Stucki, F.'
_publ_section_title
;
 Deuterium storage in Fe Ti. Measurement of desorption isotherms and
 structural studies by means of neutron diffraction
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              931
_journal_page_last               946
_journal_volume                  13
_journal_year                    1978
_chemical_formula_sum            'D Fe Ti'
_chemical_name_systematic        'Fe Ti D'
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.966
_cell_length_b                   4.521
_cell_length_c                   4.369
_cell_volume                     58.585
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Fischer_MRBUAC_1978_372.cif
_cod_data_source_block           D1Fe1Ti1
_cod_original_cell_volume        58.58517
_cod_original_formula_sum        'D1 Fe1 Ti1'
_cod_database_code               1524362
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-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
D2 D 0.5 0.25 0.25 0.11 0.0
Fe1 Fe 0 0.2933 0.25 1 0.0
Ti1 Ti 0.5 0.762 0.25 1 0.0
D1 D 0 0 0 0.88 0.0
