data_global
_chemical_name_mineral 'Compreignacite'
loop_
_publ_author_name
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 36 
_journal_year 1998
_journal_page_first 1061
_journal_page_last 1067
_publ_section_title
;
 The structure of compreignacite, K2((UO2)3O2(OH)3)2(H2O)7
;
_database_code_amcsd 0005561
_chemical_formula_sum 'U6 K2.04 O28.84 H19.68'
_cell_length_a 14.8591
_cell_length_b 7.1747
_cell_length_c 12.1871
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1299.262
_exptl_crystal_density_diffrn      5.085
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
U1   0.73021   0.04748   0.00000   1.00000
U2   0.75811  -0.00872  -0.30983   1.00000
K   0.00340  -0.14400  -0.12700   0.51000
O-H1   0.79590  -0.05800  -0.50000   1.00000
O2   0.60910   0.08200   0.00000   1.00000
O-H3   0.70480  -0.18590  -0.13820   1.00000
O4   0.87540  -0.03720  -0.27750   1.00000
O5   0.64200   0.02330  -0.34800   1.00000
O6   0.74750   0.18130  -0.16160   1.00000
O7   0.84830  -0.01200   0.00000   1.00000
Wat8   0.51950  -0.20100  -0.16220   1.00000
Wat9   0.00000   0.00000   0.50000   1.00000
Wat10   0.00600  -0.25700  -0.09000   0.46000
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
U1 0.01430 0.01110 0.00800 -0.00060 0.00000 0.00000
U2 0.01610 0.00730 0.00940 0.00040 0.00020 -0.00060
K 0.03030 0.05180 0.02550 -0.00090 -0.00050 -0.00020
O-H1 0.03610 0.01380 0.00870 0.00160 0.00000 0.00000
O2 0.02410 0.01660 0.01400 0.00520 0.00000 0.00000
O-H3 0.01480 0.01260 0.01180 0.00250 0.00420 -0.00080
O4 0.02780 0.01700 0.02130 0.00460 -0.00260 -0.00350
O5 0.02670 0.02280 0.01570 0.00490 -0.00380 0.00000
O6 0.03280 0.00850 0.01170 0.00020 0.00260 -0.00210
O7 0.02330 0.03860 0.01470 0.00420 0.00000 0.00000
Wat8 0.02450 0.03160 0.05620 0.00010 0.00000 -0.01660
Wat9 0.06190 0.03550 0.03390 -0.00770 0.00000 0.00000
Wat10 0.02300 0.01750 0.06040 0.00040 -0.00400 0.00790