data_9004888
_chemical_name 'Novacekite I'
loop_
_publ_author_name
'Locock A J'
'Burns P C'
'Flynn M'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 42
_journal_year 2004
_journal_page_first 1699
_journal_page_last 1718
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: MgUAs12
;
_chemical_formula_sum 'Mg U2 As2 O24 H24'
_cell_length_a 7.1594
_cell_length_b 7.1610
_cell_length_c 11.3146
_cell_angle_alpha 81.391
_cell_angle_beta 81.177
_cell_angle_gamma 88.884
_cell_volume 566.756
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Mg   0.00000   0.00000   0.50000   0.02800
U   0.73220   0.23000   0.07980   0.01200
As   0.75090   0.74570  -0.00150   0.01200
O1   0.77590   0.26880  -0.07970   0.01100
O2   0.68630   0.18710   0.24010   0.02100
O3   0.77260   0.54270   0.09220   0.01900
O4   0.69260   0.91310   0.08640   0.02100
O5   0.58540   0.72540  -0.08940   0.02000
O6   0.95460   0.80490  -0.09590   0.01900
Wat1   0.80130  -0.19660   0.47480   0.03400
Wat2   0.12860   0.00280   0.32360   0.03900
Wat3   0.81630   0.21320   0.45080   0.03900
Wat4   0.46750   0.79060   0.30710   0.04000
Wat5   0.07890   0.44150   0.68680   0.03900
Wat6   0.30020   0.44040   0.31490   0.04100