#------------------------------------------------------------------------------
#$Date: 2016-01-01 13:58:38 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172173 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/09/1540980.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_1540980
loop_
_publ_author_name
'Sidhu, S.S.'
'Satya Murthy, N.S.'
'Campos, F.P.'
'Zauberis, D.D.'
_publ_section_title
;
 Neutron and X-ray diffraction studies of non-stoichiometric metal
 hydrides
;
_journal_name_full               'Advances in Chemistry Series'
_journal_page_first              87
_journal_page_last               98
_journal_volume                  39
_journal_year                    1963
_chemical_formula_sum            'D4 Zr2'
_chemical_name_systematic        'Zr2 D4'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.495
_cell_length_b                   3.495
_cell_length_c                   4.463
_cell_volume                     54.516
_citation_journal_id_ASTM        ADCSAJ
_cod_data_source_file            Sidhu_ADCSAJ_1963_1238.cif
_cod_data_source_block           D4Zr2
_cod_original_cell_volume        54.51565
_cod_database_code               1540980
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,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
D1 D 0 0.5 0.25 1 0.0
Zr1 Zr 0 0 0 1 0.0
