data_global
_chemical_name_mineral 'Haiweeite'
loop_
_publ_author_name
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 39 
_journal_year 2001
_journal_page_first 1153
_journal_page_last 1160
_publ_section_title
;
 A new uranyl silicate sheet in the structure of haiweeite and comparison to
 other uranyl silicates
;
_database_code_amcsd 0005732
_chemical_formula_sum 'U Si2.5 Ca.5 O10.5 H4'
_cell_length_a 7.125
_cell_length_b 17.937
_cell_length_c 18.342
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2344.128
_exptl_crystal_density_diffrn      2.835
_symmetry_space_group_name_H-M 'C m c m'
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'
  '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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
U(1)   0.00000   0.39036   0.25000   1.00000   0.01260
U(2)   0.50000   0.28612   0.25000   1.00000   0.01490
Si(1)   0.00000   0.21480   0.25000   1.00000   0.01690
Si(2)   0.50000   0.46080   0.25000   1.00000   0.02300
Si(3)   0.10790   0.08710   0.35240   0.50000   0.01610
Si(4)   0.00000   0.58580   0.27440   0.50000   0.01250
Ca(1)   0.00000   0.38870   0.48500   0.50000   0.04040
O(1)   0.00000   0.16060   0.32120   1.00000   0.02850
O(2)   0.50000   0.51540   0.31990   1.00000   0.03600
O(3)   0.32400   0.40490   0.25000   1.00000   0.02720
O(4)   0.17700   0.27030   0.25000   1.00000   0.02580
O(5)   0.00000   0.38990   0.34700   1.00000   0.04770
O(6)   0.00000   0.50900   0.27400   0.50000   0.02950
O(7)   0.50000   0.28730   0.34850   1.00000   0.04090
O(8)   0.50000   0.16230   0.27270   0.50000   0.01260
O(9)  -0.17600   0.58450   0.33160   0.50000   0.02850
O-H(10)   0.08300   0.08800   0.43900   0.50000   0.04280
Wat(11)   0.17200   0.09200   0.55100   0.25000   0.06330
Wat(12)   0.10200   0.27100   0.45300   0.25000   0.09290
Wat(13)  -0.10700   0.52000   0.42200   0.25000   0.04740
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) 0.00770 0.00850 0.02150 0.00000 0.00000 0.00000
U(2) 0.00890 0.00910 0.02660 0.00000 0.00000 0.00000
Si(1) 0.00950 0.00110 0.03990 0.00000 0.00000 0.00000
Si(2) 0.00690 0.00930 0.05270 0.00000 0.00000 0.00000
Si(3) 0.00880 0.01700 0.02240 0.00170 0.00160 0.00010
Si(4) 0.00900 0.00630 0.02220 0.00000 0.00000 -0.00070
Ca(1) 0.07260 0.02700 0.02190 0.00000 0.00000 -0.00330
O(1) 0.02740 0.02170 0.03650 0.00000 0.00000 0.01430
O(2) 0.02030 0.01880 0.06900 0.00000 0.00000 -0.00720
O(3) 0.00900 0.01360 0.05910 -0.00370 0.00000 0.00000
O(4) 0.00790 0.01230 0.05730 -0.00260 0.00000 0.00000
O(5) 0.03710 0.08400 0.02200 0.00000 0.00000 -0.01770
O(6) 0.03120 0.04210 0.01530 0.00000 0.00000 0.01220
O(7) 0.02860 0.07150 0.02260 0.00000 0.00000 0.01390
O(9) 0.00980 0.03390 0.04170 -0.00450 0.00870 0.00050
O-H(10) 0.02410 0.07460 0.02970 0.00640 0.01270 -0.00620
Wat(11) 0.06860 0.11080 0.01050 -0.07910 -0.01100 0.01640
Wat(12) 0.20470 0.04270 0.03140 0.07600 0.00170 -0.01550
Wat(13) 0.05100 0.03530 0.05570 -0.00540 0.02550 -0.01660