#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529687.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_1529687
loop_
_publ_author_name
'Brese, N. E.'
'O'Keeffe, M.'
'von Dreele, R. B.'
'Young, Jr, V.G.'
_publ_section_title
;
 Crystal structures of NaCuO₂ and KCuO₂ by neutron diffraction
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1016/0022-4596(89)90047-9
_journal_volume                  83
_journal_year                    1989
_chemical_formula_sum            'Cu Na O2'
_chemical_name_systematic        'Na Cu O2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.767
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.3512
_cell_length_b                   2.7474
_cell_length_c                   6.1027
_cell_volume                     91.500
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Brese_JSSCBI_1989_1866.cif
_cod_data_source_block           Cu1Na1O2
_cod_original_cell_volume        91.50011
_cod_original_formula_sum        'Cu1 Na1 O2'
_cod_database_code               1529687
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Na1 Na+1 0 0.5 0.5 1 0.0
O1 O-2 0.3334 0 0.7773 1 0.0
Cu1 Cu+3 0 0 0 1 0.0
