data_global
_amcsd_formula_title 'CuSeO4*5H2O'
loop_
_publ_author_name
'Kolitsch U'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 57 
_journal_year 2001
_journal_page_first i104
_journal_page_last i105
_publ_section_title
;
 Copper(II) selenate pentahydrate, CuSeO4*5H2O
;
_database_code_amcsd 0010368
_chemical_formula_sum 'Cu Se O9 H10'
_cell_length_a 6.0830
_cell_length_b 6.2260
_cell_length_c 10.867
_cell_angle_alpha 77.14
_cell_angle_beta 82.20
_cell_angle_gamma 72.91
_cell_volume 382.430
_exptl_crystal_density_diffrn      2.576
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Cu1   0.50000   0.00000   0.50000   0.01508
Cu2   0.50000   0.50000   0.00000   0.01372
Se   0.11983   0.99149   0.78646   0.01186
O1   0.13240   0.15620   0.88206   0.02310
O2   0.17490   0.10930   0.63939   0.02230
O3   0.30160   0.73690   0.81883   0.02290
O4  -0.14340   0.96200   0.80059   0.01960
OW5   0.51680   0.24410   0.92351   0.03020
OW6   0.21140   0.46280   0.09532   0.02750
OW7   0.35230   0.81810   0.42929   0.02390
OW8   0.35300   0.28360   0.38201   0.02230
OW9   0.12390   0.57300   0.62223   0.02600
H51   0.41100   0.22200   0.91100   0.04900
H52   0.63000   0.16100   0.89500   0.04200
H61   0.11600   0.57000   0.09700   0.04000
H62   0.18100   0.34400   0.11700   0.04500
H71   0.27400   0.74900   0.48200   0.03800
H72   0.27800   0.88600   0.37000   0.04800
H81   0.17800   0.35100   0.36800   0.09000
H82   0.41500   0.30600   0.32500   0.04600
H91   0.18000   0.58400   0.67700   0.04400
H92   0.15900   0.43400   0.62400   0.05500
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
Cu1 0.01494 0.01619 0.01447 -0.00458 -0.00295 -0.00216
Cu2 0.01208 0.01243 0.01771 -0.00461 0.00224 -0.00541
Se 0.01034 0.01100 0.01389 -0.00214 -0.00040 -0.00304
O1 0.01890 0.02600 0.02930 -0.00440 -0.00370 -0.01660
O2 0.02470 0.01990 0.01690 -0.00450 0.00430 0.00160
O3 0.02340 0.01600 0.02130 0.00590 -0.00320 -0.00170
O4 0.01340 0.02350 0.02420 -0.00830 0.00090 -0.00660
OW5 0.01430 0.02830 0.05620 -0.00460 0.00180 -0.02950
OW6 0.01750 0.01570 0.04440 -0.00480 0.01160 -0.00370
OW7 0.02610 0.02700 0.02250 -0.01330 -0.00700 -0.00180
OW8 0.02100 0.02470 0.01750 -0.00370 -0.00180 0.00060
OW9 0.02960 0.01800 0.02930 -0.00590 -0.00110 -0.00400