data_2101592
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4mm
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Cu K Na2 O2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   4.327(3)
_cell_length_b                   4.327(3)
_cell_length_c                   10.891(5)
_cell_volume                     203.9(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_[local]_cod_data_source_file    an0527.cif
_[local]_cod_data_source_block   AN0527r
_[local]_cod_chemical_formula_sum_orig 'Cu1 K1 Na2 O2'
_cod_database_code               2101592
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu .0 .0 .0
K .0 .0 .5810(11)
Na .5000 .0 .266(2)
O1 .0 .0 .833(3)
O2 .0 .0 .159(3)
