#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/63/1526351.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_1526351
loop_
_publ_author_name
'Renaudin, G.'
'Fischer, P.'
'Yvon, K.'
_publ_section_title
;
 Neodymium trihydride, Nd H3, with tysonite type structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              10
_journal_page_last               14
_journal_volume                  313
_journal_year                    2000
_chemical_formula_sum            'D3 Nd'
_chemical_name_systematic        'Nd 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                   6.6581
_cell_length_b                   6.6581
_cell_length_c                   6.8778
_cell_volume                     264.047
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Renaudin_JALCEU_2000_132.cif
_cod_data_source_block           D3Nd1
_cod_original_cell_volume        264.0468
_cod_original_formula_sum        'D3 Nd1'
_cod_database_code               1526351
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
Nd1 Nd+3 0.335 0 0.25 1 0.0
D3 D-1 0 0 0.225 0.5 0.0
D2 D-1 0.3333 0.6667 0.185 1 0.0
D1 D-1 0.3456 0.3218 0.0954 1 0.0
