data_2010420
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  175
_journal_page_last  177
_publ_section_title
;
Hydroxylammonium Scandium Sulfate Sesquihydrate, Sc(NH~3~OH)(SO~4~)~2~.H~2~O
;
loop_
_publ_author_name
  'Mir\v ceva, A.'
  'Goli\v c, L.'
_chemical_formula_moiety  'H4 N O9 S2 Sc , 1.5H2 O'
_chemical_formula_sum  'H7 N O10.5 S2 Sc'
_chemical_formula_weight  298.14
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
_cell_length_a  5.1230(10)
_cell_length_b  8.9550(10)
_cell_length_c  10.1470(10)
_cell_angle_alpha  80.930(10)
_cell_angle_beta  75.360(10)
_cell_angle_gamma  89.170(10)
_cell_volume  444.6(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293.0(10)
_exptl_crystal_density_diffrn  2.227
_exptl_crystal_density_meas  2.217(4)
_refine_ls_R_factor_obs  0.030
_refine_ls_wR_factor_obs  0.034
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Sc .13936(7) .46155(4) .22313(4) .0140(2)
  S(1) .71644(9) .29136(5) .08829(5) .0143(2)
  S(2) .58531(9) .68536(5) .30453(5) .0172(2)
  O(1) .7595(4) .4150(2) -.0299(2) .0294(9)
  O(2) .9447(3) .2962(2) .1530(2) .0234(7)
  O(3) .4668(3) .3216(2) .1900(2) .0225(7)
  O(4) .6997(4) .1450(2) .0493(2) .0308(8)
  O(5) .5478(5) .7152(2) .4455(2) .0370(10)
  O(6) .6660(4) .8198(2) .2030(2) .0346(9)
  O(7) .3230(3) .6256(2) .2947(2) .0328(9)
  O(8) .7836(4) .5653(2) .2796(2) .0363(9)
  O(9) .0994(6) .9854(3) .3315(3) .0510(10)
  N .1610(5) .9856(3) .1891(2) .0320(10)
  O(10) .0395(4) .3324(2) .4250(2) .0282(8)
  O(11) .5550(10)
  .0364(5) .4250(6) .047(2)
  H(1) .0000 .9199 .1732 .05
  H(2) .2962 .9523 .1686 .05
  H(3) .1439 1.0886 .1470 .05
  H(4) .2624 1.0036 .3649 .05
  H(5) -.1085 .3337 .4835 .05
  H(6) .1914 .3095 .4679 .05
  H(7) .7499 .0181 .3914 .05
  H(8) .5183 .1253 .4712 .05
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sc O(3) . . 2.070(2) yes
  Sc O(7) . . 2.072(2) yes
  Sc O(10) . . 2.130(2) yes
  Sc O(2) . 1_455 2.104(2) yes
  Sc O(8) . 1_455 2.026(2) yes
  Sc O(1) . 2_665 2.038(2) yes
  S(1) O(1) . . 1.472(2) yes
  S(1) O(2) . . 1.483(2) yes
  S(1) O(3) . . 1.478(2) yes
  S(1) O(4) . . 1.437(2) yes
  S(2) O(5) . . 1.461(2) yes
  S(2) O(6) . . 1.446(2) yes
  S(2) O(7) . . 1.486(2) yes
  S(2) O(8) . . 1.475(2) yes
  O(9) N . . 1.399(4) yes
  O(9) H(4) . . 1.002 no
  N H(1) . . 1.079 no
  N H(2) . . 0.743 no
  N H(3) . . 0.966 no
  O(10) H(5) . . 0.838 no
  O(10) H(6) . . 0.988 no
  O(11) H(7) . . 0.992 no
  O(11) H(8) . . 0.979 no