data_global
_chemical_name_mineral 'Juangodoyite'
loop_
_publ_author_name
'Maslen E N'
'Spadaccini N'
'Watson K J'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 42 
_journal_year 1986
_journal_page_first 430
_journal_page_last 436
_publ_section_title
;
 Electron density in non-ideal metal complexes. II. Sodium
 bis(carbonato)cuprate(II)
;
_database_code_amcsd 0009808
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na2 Cu C2 O6'
_cell_length_a 6.170
_cell_length_b 8.171
_cell_length_c 5.648
_cell_angle_alpha 90
_cell_angle_beta 116.24
_cell_angle_gamma 90
_cell_volume 255.401
_exptl_crystal_density_diffrn      2.985
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na   0.67160   0.09405   0.35690   0.01930
Cu   0.00000   0.00000   0.00000   0.00987
C   0.36569  -0.23665   0.18683   0.01112
O1   0.32537  -0.08168   0.21023   0.01512
O2   0.36936  -0.28169  -0.03111   0.01410
O3   0.40360  -0.33579   0.37097   0.01827
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.02181 0.01907 0.01608 -0.00526 0.00753 0.00026
Cu 0.00955 0.00756 0.01247 0.00031 0.00480 0.00046
C 0.00939 0.00923 0.01397 0.00118 0.00443 0.00057
O1 0.01110 0.00980 0.02125 0.00141 0.00428 -0.00321
O2 0.01754 0.01150 0.01402 0.00240 0.00765 0.00028
O3 0.01936 0.01816 0.01718 0.00254 0.00804 0.00682