data_global
_chemical_name_mineral 'Rauchite'
loop_
_publ_author_name
'Pekov I V'
'Levitskiy V V'
'Krivovichev S V'
'Zolotarev A A'
'Bryzgalov I A'
'Zadov A E'
'Chukanov N V'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 24 
_journal_year 2012
_journal_page_first 913
_journal_page_last 922
_publ_section_title
;
 New nickel-uranium-arsenic mineral species from the oxidation zone of
 the Belorechenskoye deposit, Northern Caucasus, Russia: I.
 Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group
;
_database_code_amcsd 0019394
_chemical_compound_source 'Belorechenskoye deposit, Northern Caucasus, Russia'
_chemical_formula_sum 'U2 (As1.78 P.22) (Ni.69 Mg.31) O22 H20'
_cell_length_a 7.100
_cell_length_b 7.125
_cell_length_c 19.955
_cell_angle_alpha 92.406
_cell_angle_beta 94.924
_cell_angle_gamma 90.420
_cell_volume 1004.801
_exptl_crystal_density_diffrn      3.426
_symmetry_space_group_name_H-M 'I -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-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
U   0.76232   0.75189   0.54532   1.00000   0.01330
As   0.74940   0.24780   0.50112   0.89000   0.01220
P   0.74940   0.24780   0.50112   0.11000   0.01220
Ni   0.25000  -0.25000   0.25000   0.69000   0.02800
Mg   0.25000  -0.25000   0.25000   0.31000   0.02800
O1   0.71700   0.07200   0.55010   1.00000   0.02000
O2   0.73700   0.73400   0.45750   1.00000   0.01700
O3   0.80800   0.43200   0.55300   1.00000   0.01700
O4   0.78500   0.76400   0.63370   1.00000   0.01200
O5   0.55000   0.29300   0.45070   1.00000   0.02200
O6   0.08000   0.80100   0.54900   1.00000   0.01800
Wat1   0.33700  -0.52200   0.25550   1.00000   0.04500
Wat2   0.46100  -0.18600   0.18300   1.00000   0.04300
Wat3   0.05900  -0.31800   0.17000   1.00000   0.04800
Wat4   0.79400  -0.01000   0.33010   1.00000   0.04800
Wat5  -0.17900   0.08700   0.17500   1.00000   0.09400
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 0.00250 0.00800 0.02940 0.00110 0.00060 0.00270
As 0.00290 0.00760 0.02660 0.00150 0.00160 0.00360
P 0.00290 0.00760 0.02660 0.00150 0.00160 0.00360
Ni 0.03400 0.03300 0.01800 0.00700 0.00300 -0.00200
Mg 0.03400 0.03300 0.01800 0.00700 0.00300 -0.00200