#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/49/1534985.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_1534985
loop_
_publ_author_name
'Sofin, M.'
'Jansen, M.'
'Peters, E.M.'
_publ_section_title
;
 Synthesis and crystal structure of Cs Cu3 O2, containing a new type of
 oxocuprate(I) polyanion
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2435
_journal_page_last               2437
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Cs Cu3 O2'
_chemical_name_systematic        'Cs (Cu3 O2)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.25
_cell_length_b                   5.25
_cell_length_c                   5.442
_cell_volume                     129.900
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sofin_ZAACAB_2003_1157.cif
_cod_data_source_block           Cs1Cu3O2
_cod_original_cell_volume        129.8996
_cod_original_formula_sum        'Cs1 Cu3 O2'
_cod_database_code               1534985
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
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
Cs1 Cs+1 0 0 0.5 1 0.0
O1 O-2 0.3333 0.6667 0.19 1 0.0
Cu1 Cu+1 0.5 0.5 0 1 0.0
