data_global
_amcsd_formula_title 'K2Cr2O7'
loop_
_publ_author_name
'Krivovichev S V'
'Kir'yanova E V'
'Filatov S K'
'Burns P C'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 56 
_journal_year 2000
_journal_page_first 629
_journal_page_last 630
_publ_section_title
;
 Beta-K2Cr2O7
 Note: dimorphic with lopezite
;
_database_code_amcsd 0010323
_chemical_formula_sum 'K2 Cr2 O7'
_cell_length_a 13.0339
_cell_length_b 7.375
_cell_length_c 7.4672
_cell_angle_alpha 90
_cell_angle_beta 91.923
_cell_angle_gamma 90
_cell_volume 717.380
_exptl_crystal_density_diffrn      2.724
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.14473   0.15065   0.35562
Cr   0.39714   0.17429   0.13497
O1   0.44153   0.30710  -0.01760
O2   0.33753   0.29740   0.27800
O3   0.50000   0.05950   0.25000
O4   0.32025   0.02540   0.04940
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
K 0.03360 0.03820 0.02660 -0.00560 0.00020 -0.00430
Cr 0.02060 0.02260 0.02070 -0.00247 0.00292 -0.00125
O1 0.03340 0.03980 0.02810 -0.00490 0.00690 0.00760
O2 0.03790 0.03730 0.02770 0.00880 0.00820 -0.00120
O3 0.02560 0.02510 0.03430 0.00000 0.00200 0.00000
O4 0.03710 0.03680 0.04790 -0.01120 -0.00720 -0.00540