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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/43/1524363.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_1524363
loop_
_publ_author_name
'Fischer, R.'
'Haelg, W.'
'Schlapbach, L.'
'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            'D0.19 Fe H0.69 Ti'
_chemical_name_systematic        'Fe Ti H0.69 D0.19'
_space_group_IT_number           17
_symmetry_space_group_name_Hall  'P 2c 2'
_symmetry_space_group_name_H-M   'P 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.976
_cell_length_b                   4.514
_cell_length_c                   4.378
_cell_volume                     58.813
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Fischer_MRBUAC_1978_375.cif
_cod_data_source_block           H0.69D0.19Fe1Ti1
_cod_original_cell_volume        58.81258
_cod_original_formula_sum        'H0.69 D0.19 Fe1 Ti1'
_cod_database_code               1524363
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
Fe1 Fe 0 0.289 0.25 1 0.0
H1 H 0 0 0 0.69 0.0
D2 D 0.5 0.3 0.25 0 0.0
D1 D 0 0 0 0.19 0.0
Ti1 Ti 0.5 0.757 0.25 1 0.0
