data_global
_chemical_name_mineral 'Ulrichite'
loop_
_publ_author_name
'Kolitsch U'
'Giester G'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 65 
_journal_year 2001
_journal_page_first 717
_journal_page_last 724
_publ_section_title
;
 Revision of the crystal structure of ulrichite, CaCu2+(UO2)(PO4)2*4(H2O)
;
_database_code_amcsd 0014560
_chemical_compound_source 'Lake Boga, near Swan Hill, Victoria, Australia'
_chemical_formula_sum 'Ca Cu U P2 O14 H8'
_cell_length_a 12.784
_cell_length_b 6.996
_cell_length_c 13.007
_cell_angle_alpha 90
_cell_angle_beta 91.92
_cell_angle_gamma 90
_cell_volume 1162.652
_exptl_crystal_density_diffrn      3.631
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
Ca   0.16590  -0.02040   0.75890   0.01590
Cu1   0.00000   0.50000   0.50000   0.01930
Cu2   0.50000   0.50000   0.00000   0.02480
U   0.31584  -0.52226   0.74637   0.01520
P1   0.07610  -0.51350   0.74810   0.01680
P2   0.59480  -0.51210   0.77350   0.01900
O1   0.15320  -0.34690   0.74750   0.01900
O2   0.85160  -0.18850   0.74640   0.01700
O3   0.00110  -0.51240   0.65310   0.01700
O4   0.00280   0.49250   0.83950   0.01600
O5   0.65710  -0.69400   0.76070   0.02700
O6   0.48870  -0.52590   0.71850   0.02700
O7   0.65960  -0.35310   0.72600   0.02500
O8   0.58590  -0.46700   0.88890   0.03500
Wat9   0.03740  -0.76510   0.50030   0.02600
Wat10   0.19030  -0.10700   0.94630   0.04400
Wat11   0.49380  -0.78500   0.98260   0.04600
O12   0.32600  -0.51060   0.88510   0.01200
Wat13   0.20330  -0.01000   0.57180   0.03500
O14   0.30760  -0.54500   0.60530   0.01700
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
Ca 0.01310 0.00350 0.03100 0.00010 -0.00200 -0.00070
Cu1 0.02380 0.01640 0.01770 0.00110 -0.00110 -0.00030
Cu2 0.02760 0.02010 0.02690 0.00190 0.00620 0.00080
U 0.01370 0.01180 0.02020 0.00012 0.00010 -0.00005
P1 0.00970 0.01290 0.02800 -0.00190 -0.00410 -0.00110
P2 0.00900 0.01320 0.03500 0.00140 0.00230 0.00050