data_global
_chemical_name_mineral 'Phosphuranylite'
loop_
_publ_author_name
'Piret P'
'Piret-Meunier J'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 3 
_journal_year 1991
_journal_page_first 69
_journal_page_last 77
_publ_section_title
;
 Composition chimique et structure cristalline
 de la phosphuranylite Ca(UO2)[(UO2)3(OH)2(PO4)2]2.12H2O
;
_database_code_amcsd 0006412
_chemical_formula_sum 'U7 P4 O46 Ca H28'
_cell_length_a 15.835
_cell_length_b 17.324
_cell_length_c 13.724
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3764.844
_exptl_crystal_density_diffrn      4.577
_symmetry_space_group_name_H-M 'B m m b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  'x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,1/2-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,y,1/2+z'
  'x,-y,-z'
  '1/2+x,-y,1/2-z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-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
U1   0.20950   0.25000   0.11580   1.00000   0.01100
U2   0.24390   0.13990   0.37260   1.00000   0.01000
P3   0.18760   0.06090   0.12290   1.00000   0.00300
O4   0.32500   0.25000   0.13700   1.00000   0.03100
O5   0.09500   0.25000   0.10300   1.00000   0.01300
O6   0.34900   0.14300   0.32000   1.00000   0.03600
O7   0.13900   0.13000   0.41500   1.00000   0.02900
O8   0.20900   0.11700   0.03500   1.00000   0.02300
O9   0.19800   0.11300   0.21500   1.00000   0.02600
O10   0.24600   0.00500   0.37400   1.00000   0.02000
O11   0.09800   0.02800   0.11000   1.00000   0.03600
O-H12   0.19800   0.25000   0.29400   1.00000   0.04100
O-H13   0.26700   0.25000   0.45300   1.00000 ?
Wat14   0.50000   0.25000   0.22700   1.00000   0.04400
Wat15   0.50000   0.25000   0.42000   1.00000   0.04900
Wat16   0.50000   0.25000   0.80000   1.00000   0.14400
U17   0.50000   0.00000   0.50000   1.00000   0.01800
Ca18   0.50000   0.08200  -0.03100   0.50000   0.02100
O19   0.50000   0.09500   0.45700   1.00000   0.02300
Wat20   0.50000   0.07800  -0.21500   0.50000   0.03000
Wat21   0.50000  -0.07200   0.22000   0.50000   0.03000
Wat22   0.41100   0.02900   0.09800   0.50000   0.03000
Wat23   0.41200  -0.04000  -0.07300   0.50000   0.03000
Wat24   0.50000   0.21400  -0.00100   0.50000   0.05500
Wat25   0.50000  -0.08400  -0.23200   0.50000   0.03000
Wat26   0.50000   0.08000   0.25500   0.50000   0.03000
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 0.01540 0.00960 0.00880 0.00000 0.00230 0.00000
U2 0.01530 0.00670 0.00720 0.00140 -0.00300 0.00040
U17 0.01650 0.01370 0.02210 0.00000 0.00000 0.00200