data_global
_chemical_name_mineral 'Marthozite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 39 
_journal_year 2001
_journal_page_first 797
_journal_page_last 807
_publ_section_title
;
 Structure topology and hydrogen bonding in mathozite, Cu[(UO2)3(SeO3)2O2](H2O)8,
 a comparison with guilleminite, Ba[(UO2)3(SeO3)2O2](H2O)3
;
_database_code_amcsd 0005722
_chemical_formula_sum 'U3 Se2 Cu O22 H16'
_cell_length_a 6.9879
_cell_length_b 16.4537
_cell_length_c 17.2229
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1980.234
_exptl_crystal_density_diffrn      4.373
_symmetry_space_group_name_H-M 'P b n 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
U(1)   0.20563   0.27827   0.50000   0.01370
U(2)   0.20222   0.20848   0.10493   0.01200
U(3)   0.21002   0.23414   0.89322   0.01390
Se(1)   0.19200   0.28770   0.29890   0.01600
Se(2)   0.19170   0.32390   0.69660   0.01490
Cu   0.19760   0.46220   0.11770   0.02310
O(1)   0.23250   0.20380   0.24410   0.01730
O(2)   0.04970   0.24660   0.37180   0.01700
O(3)   0.38610   0.29590   0.35600   0.02940
O(4)   0.24780   0.24340   0.75610   0.01970
O(5)   0.04580   0.28000   0.63070   0.01560
O(6)   0.37480   0.32440   0.63320   0.01890
O(7)   0.16700   0.38560   0.48880   0.01500
O(8)   0.25100   0.17090   0.51190   0.01890
O(9)   0.24930   0.09980   0.09940   0.01670
O(10)   0.15300   0.31480   0.12110   0.01150
O(11)   0.26130   0.12870   0.88470   0.01960
O(12)   0.16490   0.33960   0.89490   0.02700
O(13)   0.38240   0.24600   0.00300   0.01160
O(14)   0.51550   0.29480   0.49660   0.01250
Wat(1)  -0.00160   0.46610   0.03030   0.02260
Wat(2)   0.37210   0.45010   0.20620   0.03070
Wat(3)  -0.00510   0.49340   0.19010   0.02500
Wat(4)   0.39930   0.42420   0.04560   0.03720
Wat(5)   0.70450   0.39100   0.16790   0.03420
Wat(6)   0.02870   0.50910   0.34660   0.04710
Wat(7)   0.50510   0.42430   0.78890   0.03850
Wat(8)   0.48410   0.48670   0.42760   0.04120
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
U(1) 0.00980 0.01550 0.01570 0.00180 0.00810 0.00120
U(2) 0.01010 0.01480 0.01110 -0.00060 0.00730 -0.00070
U(3) 0.01160 0.01890 0.01120 0.00320 0.00750 0.00170
Se(1) 0.00970 0.02430 0.01390 -0.00060 0.00600 -0.00090
Se(2) 0.00610 0.02610 0.01250 0.00310 0.00590 -0.00070
Cu 0.02250 0.02360 0.02320 0.00030 0.00560 -0.00120