data_global
_amcsd_formula_title 'Cu Nb2 O6'
loop_
_publ_author_name
'Norwig J'
'Weitzel H'
'Paulus H'
'Lautenschlaeger G'
'Rodriguez-Carvajal J'
'Fuess H'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 115 
_journal_year 1995
_journal_page_first 476
_journal_page_last 483
_publ_section_title
;
 Structural relations in mixed oxides Cux Zn1-x Nb2 O6
 _cod_database_code 1006090
;
_database_code_amcsd 0013854
_chemical_formula_sum 'Cu Nb2 O6'
_cell_length_a 5.0064
_cell_length_b 14.1733
_cell_length_c 5.7615
_cell_angle_alpha 90
_cell_angle_beta 91.672
_cell_angle_gamma 90
_cell_volume 408.646
_exptl_crystal_density_diffrn      5.613
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.25020   0.00020   0.34200
Nb1   0.73700   0.16070   0.20370
Nb2   0.23530   0.16150   0.84660
O1   0.06270   0.09650   0.13780
O2   0.57370   0.07810   0.40090
O3   0.40370   0.24510   0.14480
O4   0.90020   0.24480   0.90860
O5   0.55600   0.09690   0.92290
O6   0.06430   0.07990   0.65190