#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/12/1531201.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_1531201
loop_
_publ_author_name
'Bogdanova, A.V.'
'Andre, G.'
'Irodova, A.V.'
'Bouree, F.'
_publ_section_title
;
 The Zr V2 D6 crystal structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              50
_journal_page_last               53
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'D5.95 V2 Zr'
_chemical_name_systematic        'Zr V2 D5.95'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5738
_cell_length_b                   5.6996
_cell_length_c                   7.9942
_cell_volume                     253.963
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Bogdanova_JALCEU_2003_1439.cif
_cod_data_source_block           D5.95V2Zr1
_cod_original_cell_volume        253.9632
_cod_original_formula_sum        'D5.95 V2 Zr1'
_cod_database_code               1531201
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
D9 D 0.1855 0.5639 0.3108 0.084 0.0
D10 D 0.6861 0.4355 0.4392 0.095 0.0
D7 D 0 0.3784 0.1253 0.078 0.0
D4 D 0.3204 0.0612 0.4411 0.835 0.0
D8 D 0.8145 0.5639 0.3108 0.098 0.0
Zr1 Zr 0 0.25 0.875 1 0.0
V2 V 0.25 0.25 0.25 1 0.0
V1 V 0 0 0.5 1 0.0
D5 D 0.1875 0.25 0.4688 0.106 0.0
D2 D 0.0219 0.4551 0.2732 0.86 0.0
D6 D 0.8716 0.25 0.6247 0.096 0.0
D3 D 0.1238 0.25 0.6319 0.742 0.0
D1 D 0.8012 0.25 0.4707 0.906 0.0
