#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/67/1526704.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_1526704
loop_
_publ_author_name
'Kohlmann, H.'
'Skripov, A.V.'
'Fauth, F.'
'Fischer, P.'
'Yvon, K.'
'Kozhanov, V.N.'
_publ_section_title
;
 Low-temperature deuterium ordering in the cubic Laves phase derivative
 alpha-(Zr Cr2 D0.66)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              4
_journal_page_last               9
_journal_volume                  327
_journal_year                    2001
_chemical_formula_sum            'Cr2 D0.61 Zr'
_chemical_name_systematic        'Zr Cr2 D0.61'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.563
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.9411
_cell_length_b                   5.1372
_cell_length_c                   8.905
_cell_volume                     385.415
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Kohlmann_JALCEU_2001_1328.cif
_cod_data_source_block           D0.61Cr2Zr1
_cod_original_cell_volume        385.4149
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'D0.61 Cr2 Zr1'
_cod_database_code               1526704
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-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
Cr1 Cr 0.258 0.995 0.252 1 0.0
D3 D 0.489 0.456 0.884 0.29 0.0
D2 D 0.087 0.031 0.14 0.3 0.0
Cr3 Cr 0.987 0.255 0.241 1 0.0
Cr2 Cr 0.231 0.519 0.751 1 0.0
Cr4 Cr 0.248 0.248 0.5 1 0.0
Zr2 Zr 0.0639 0.254 0.9358 1 0.0
D4 D 0.278 0.256 0.851 0.23 0.0
D1 D 0.061 0.116 0.442 0.4 0.0
Zr1 Zr 0.4358 0.25 0.0671 1 0.0
