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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/1/53/19/1531925.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_1531925
loop_
_publ_author_name
'Nagarajan, R.'
'Uma, S.'
'Jayaraj, M.K.'
'Tate, J.'
'Sleight, A.W.'
_publ_section_title
;
 New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite
 structure
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              787
_journal_page_last               792
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu3 Mg2 O6 Sb'
_chemical_name_systematic        'Cu3 Mg2 Sb O6'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.344
_cell_length_b                   5.344
_cell_length_c                   34.327
_cell_volume                     848.984
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Nagarajan_SSSCFJ_2002_940.cif
_cod_data_source_block           Cu3Mg2O6Sb1
_cod_original_cell_volume        848.9837
_cod_original_formula_sum        'Cu3 Mg2 O6 Sb1'
_cod_database_code               1531925
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
-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
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
-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
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
Cu1 Cu+1 0.6775 0.0109 0.4167 1 0.0
Mg3 Mg+2 0.6667 0.3333 0.3333 0.113 0.0
Mg2 Mg+2 0.6667 0.3333 0.5002 0.934 0.0
O2 O-2 0.682 0 0.4707 1 0.0
Mg4 Mg+2 0 0 0.5 0.085 0.0
Mg1 Mg+2 0.3333 0.6667 0.3335 0.967 0.0
O1 O-2 0.667 0.012 0.3629 1 0.0
Sb4 Sb+5 0 0 0.5 0.915 0.0
Sb3 Sb+5 0.6667 0.3333 0.3333 0.887 0.0
Sb2 Sb+5 0.6667 0.3333 0.5002 0.066 0.0
Sb1 Sb+5 0.3333 0.6667 0.3335 0.033 0.0
