#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/78/1527835.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_1527835
loop_
_publ_author_name
'Miron, N.F.'
'Shcherbak, V.I.'
'Bykov, V.N.'
'Levdik, V.A.'
_publ_section_title
;
 Neutron diffraction study of yttrium trihydride
;
_journal_name_full               Kristallografiya
_journal_page_first              404
_journal_page_last               406
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'D3 Y'
_chemical_name_systematic        'Y D3'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.34
_cell_length_b                   6.34
_cell_length_c                   6.6
_cell_volume                     229.749
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Miron_KRISAJ_1972_1897.cif
_cod_data_source_block           D3Y1
_cod_original_cell_volume        229.7487
_cod_original_formula_sum        'D3 Y1'
_cod_database_code               1527835
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,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-1 0.3333 0.6667 0.1667 1 0.0
Y1 Y+3 0.6667 0 0.25 1 0.0
D3 D-1 0 0 0.25 1 0.0
D1 D-1 0.356 0.028 0.096 1 0.0
