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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/84/1528477.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_1528477
loop_
_publ_author_name
'Filinchuk, Y.E.'
'Yvon, K.'
_publ_section_title
;
 Directional metal-hydrogen bonding in interstitial hydrides. III.
 Structural study of Er Co3 D(x) (0 <= x <= 4,3)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1041
_journal_page_last               1052
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Co3 D3.71 Er'
_chemical_name_systematic        'Er Co3 D3.71'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   5.2218
_cell_length_b                   5.2218
_cell_length_c                   26.0456
_cell_volume                     615.043
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Filinchuk_JSSCBI_2006_1007.cif
_cod_data_source_block           D3.71Co3Er1
_cod_original_formula_sum        'D3.71 Co3 Er1'
_cod_database_code               1528477
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-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+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
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+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-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+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Co1 Co 0 0 0.5 1 0.0
D2 D 0.5 0 0 0.348 0.0
D5 D 0.771 -0.771 0.1177 0.124 0.0
D1 D 0.4536 0.4544 0.13885 0.366 0.0
Co3 Co 0.4933 -0.4933 0.07671 1 0.0
Co2 Co 0 0 0.3342 1 0.0
D4 D 0.8532 -0.8532 0.076 0.33 0.0
Er1 Er 0 0 0 1 0.0
D3 D 0.8427 -0.8427 0.0621 0.5 0.0
Er2 Er 0 0 0.13416 1 0.0
