data_global
_chemical_name_mineral 'Boltwoodite'
loop_
_publ_author_name
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 36 
_journal_year 1998
_journal_page_first 1069
_journal_page_last 1075
_publ_section_title
;
 The structure of boltwoodite and implications of solid solution toward sodium
 boltwoodite
;
_database_code_amcsd 0005562
_chemical_formula_sum 'U Si K.56 Na.21 O7.27 H3.54'
_cell_length_a 7.0772
_cell_length_b 7.0597
_cell_length_c 6.6479
_cell_angle_alpha 90
_cell_angle_beta 104.982
_cell_angle_gamma 90
_cell_volume 320.858
_exptl_crystal_density_diffrn      4.272
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
U   0.52463   0.75000   0.63810   1.00000 ?
Si   0.43200   0.75000   0.14810   1.00000 ?
K   0.04600   0.03700   0.64100   0.28000   0.04310
Na   0.00000   0.00000   0.50000   0.21000   0.06260
O1   0.78600   0.75000   0.66800   1.00000 ?
O2   0.26300   0.75000   0.59700   1.00000 ?
O3   0.56600   0.75000   0.98800   1.00000 ?
O4   0.52460   0.07400   0.68880   1.00000 ?
O-H5   0.20300   0.75000   0.03000   1.00000 ?
Wat6   0.92100   0.92500   0.20100   0.53000   0.06390
Wat7   0.93800   0.75000   0.24500   0.21000   0.11100
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 0.02470 0.00710 0.01100 0.00000 0.00580 0.00000
Si 0.02960 0.01220 0.01220 0.00000 0.00640 0.00000
O1 0.02440 0.03270 0.02750 0.00000 0.00860 0.00000
O2 0.01950 0.03770 0.02550 0.00000 0.00620 0.00000
O3 0.03240 0.01550 0.01830 0.00000 0.01020 0.00000
O4 0.06300 0.00640 0.01530 0.00180 0.01080 -0.00060
O-H5 0.03660 0.05360 0.03640 0.00000 0.01770 0.00000