#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531923.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_1531923
loop_
_publ_author_name
'Nagarajan, R.'
'Jayaraj, M.K.'
'Uma, S.'
'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            'Cu Mn0.662 O2 Sb0.338'
_chemical_name_systematic        'Cu (Mn0.662 Sb0.338) O2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.183
_cell_length_b                   3.183
_cell_length_c                   11.474
_cell_volume                     100.674
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Nagarajan_SSSCFJ_2002_939.cif
_cod_data_source_block           Cu1Mn0.662O2Sb0.338
_cod_original_cell_volume        100.6743
_cod_original_formula_sum        'Cu1 Mn0.662 O2 Sb0.338'
_cod_database_code               1531923
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Cu1 Cu+1 0.3333 0.6667 0.25 1 0.0
Sb1 Sb+5 0 0 0 0.338 0.0
Mn1 Mn+2 0 0 0 0.662 0.0
O1 O-2 0.3333 0.6667 0.09 1 0.0
