#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/00/2020031.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020031
loop_
_publ_author_name
'Cenzual, K.'
'Parthe, E.'
'Waterstrat, R.M.'
_publ_section_title
;
 Zr21 Re25, a new rhombohedral structure type containing 1.2 nm thick
 infinite Mg Zn2 (Laves) phases
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              261
_journal_page_last               266
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'Re25 Zr21'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   25.847
_cell_length_b                   25.847
_cell_length_c                   8.771
_cell_volume                     5074.579
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Cenzual_ACSCEE_1986_1937.cif
_cod_data_source_block           Re25Zr21
_cod_database_code               2020031
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
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
Re6 Re 0.235 0.1163 0 1 0.0
Zr4 Zr 0.3129 0.1084 0.2481 1 0.0
Re3 Re 0.4446 0 0.25 1 0.0
Re2 Re 0.061 0 0.25 1 0.0
Re5 Re 0.2342 0.1754 0.2477 1 0.0
Zr1 Zr 0.6943 0 0.25 1 0.0
Zr2 Zr 0.0021 0.2306 0.0424 1 0.0
Zr3 Zr 0.1161 0.1164 0.0659 1 0.0
Re1 Re 0 0 0 1 0.0
Re4 Re 0.0582 0.1778 0.248 1 0.0
