data_2011079
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  731
_journal_page_last  734
_publ_section_title
;
 The structures at 293 and 12 K of the \a-alums RbCr(SO~4~)~2~.12H~2~O
 and CsCr(SeO~4~)~2~.12H~2~O
;
loop_
_publ_author_name
  'Figgis, Brian N.'
  'Reynolds, Philip A.'
  'Sobolev, Alexandre N.'
_chemical_name_common  'Rubidium chromium sulfate dodecahydrate'
_chemical_formula_moiety  'Rb Cr (S O4)2, 12H2 O'
_chemical_formula_sum  'H24 Cr O20 Rb S2'
_chemical_formula_weight  545.78
_symmetry_cell_setting  Cubic
_symmetry_space_group_name_H-M  'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x, y+1/2, -z+1/2'
  'x+1/2, -y+1/2, -z'
  'z, x, y'
  'z+1/2, -x+1/2, -y'
  '-z+1/2, -x, y+1/2'
  '-z, x+1/2, -y+1/2'
  'y, z, x'
  '-y, z+1/2, -x+1/2'
  'y+1/2, -z+1/2, -x'
  '-y+1/2, -z, x+1/2'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  'x, -y-1/2, z-1/2'
  '-x-1/2, y-1/2, z'
  '-z, -x, -y'
  '-z-1/2, x-1/2, y'
  'z-1/2, x, -y-1/2'
  'z, -x-1/2, y-1/2'
  '-y, -z, -x'
  'y, -z-1/2, x-1/2'
  '-y-1/2, z-1/2, x'
  'y-1/2, z, -x-1/2'
_cell_length_a  12.296(2)
_cell_length_b  12.296(2)
_cell_length_c  12.296(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1859.1(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.950
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Rb  .0000  .0000  .0000  .0453(4) Uani d S 1 . . Rb
  Cr  .5000  .5000  .5000  .0177(4) Uani d S 1 . . Cr
  S1  .18670(7)  .18670(7)  .18670(7)  .0246(4) Uani d S 1 . . S
  O1  .2544(3)  .2544(3)  .2544(3)  .0682(19) Uani d S 1 . . O
  O2  .0761(2)  .1827(2)  .2308(3)  .0554(9) Uani d . 1 . . O
  O11  -.1429(2)  .2004(2)  .0477(2)  .0381(7) Uani d D 1 . . O
  O12  .34142(19)  .4891(2)  .5125(2)  .0280(6) Uani d D 1 . . O
  H1  -.173(3)  .212(4)  .1056(19)  .041(13) Uiso d D 1 . . H
  H2  -.191(3)  .218(4)  .005(3)  .067(17) Uiso d D 1 . . H
  H3  .308(4)  .468(4)  .566(2)  .059(15) Uiso d D 1 . . H
  H4  .300(3)  .480(3)  .461(2)  .040(12) Uiso d D 1 . . H
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
  Rb  .0453(4)  .0453(4)  .0453(4)  .0107(3)  .0107(3)  .0107(3)
  Cr  .0177(4)  .0177(4)  .0177(4)  -.0003(3)  -.0003(3)  -.0003(3)
  S1  .0246(4)  .0246(4)  .0246(4)  .0038(4)  .0038(4)  .0038(4)
  O1  .0682(19)  .0682(19)  .0682(19)  -.0160(17)  -.0160(17)  -.0160(17)
  O2  .0444(17)  .0446(17)  .077(2)  .0111(14)  .0302(16)  .0234(16)
  O11  .0334(15)  .0408(16)  .0400(16)  -.0049(13)  -.0003(13)  .0070(13)
  O12  .0200(12)  .0379(15)  .0260(14)  -.0038(10)  -.0002(10)  .0010(11)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Rb O11 13 3.082(3) no
  Rb O11 9 3.082(3) no
  Rb O11 21 3.082(3) no
  Rb O11 . 3.082(3) yes
  Rb O11 17 3.082(3) no
  Rb O11 5 3.082(3) no
  Rb S1 . 3.9762(16) no
  Rb S1 13 3.9762(16) no
  Rb O2 5 3.739(4) no
  Rb O2 9 3.739(4) no
  Rb O2 21 3.739(4) no
  Rb O2 . 3.739(4) yes
  Rb O2 13 3.739(4) no
  Rb O2 17 3.739(4) no
  Cr O12 13_666 1.960(2) no
  Cr O12 . 1.960(2) yes
  Cr O12 5 1.960(2) no
  Cr O12 21_666 1.960(2) no
  Cr O12 17_666 1.960(2) no
  Cr O12 9 1.960(2) no
  S1 O1 . 1.442(6) yes
  S1 O2 5 1.465(3) no
  S1 O2 9 1.465(3) no
  S1 O2 . 1.465(3) yes
  O11 H1 .  .813(10) no
  O11 H2 .  .814(10) no
  O12 H3 .  .822(10) no
  O12 H4 .  .820(10) no