data_2200819
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2002
_journal_volume  58
_journal_page_first  i26
_journal_page_last  i28
_publ_section_title
;
Lithium potassium tungstate monohydrate, LiKWO~4~.H~2~O
;
loop_
_publ_author_name
  'Radosavljevic Evans, I.'
  'Howard, Judith A. K.'
_chemical_formula_sum  ' H2 K1 Li1 O5 W1'
_chemical_formula_structural  'Li K W O4 (H2 O)'
_chemical_formula_iupac  'Li K W O4, H2O'
_chemical_formula_weight  311.90
_symmetry_cell_setting  'Orthorhombic'
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  '-x+1/2,y+1/2,z'
  'x+1/2,-y+1/2,-z'
  'x,-y+1/2,z+1/2'
  '-x,y+1/2,-z+1/2'
  '-x+1/2,-y,z+1/2'
  'x+1/2,y,-z+1/2'
_cell_length_a  10.671(2)
_cell_length_b  7.767(2)
_cell_length_c  12.876(3)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1067.1(7)
_cell_formula_units_Z  8
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  3.883
_diffrn_ambient_temperature  293
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_occupancy
_atom_site_type_symbol
  W1  .131040(16)  .56205(3)  .124849(19)  .0159 Uani 1.0000 W
  O2  .2668(4)  .5782(7)  .2027(4)  .0304 Uani 1.0000 O
  O3  .1694(5)  .4688(5)  .0056(4)  .0270 Uani 1.0000 O
  O4  .0668(4)  .7708(5)  .1022(3)  .0231 Uani 1.0000 O
  O5  .0193(4)  .4337(6)  .1933(3)  .0269 Uani 1.0000 O
  O1  .9492(4)  .1350(6)  .1037(3)  .0267 Uani 1.0000 O
  K1  .19690(11)  .30668(19)  .36823(11)  .0274 Uani 1.0000 K
  LI1  .4315(9)  .4838(13)  .1775(7)  .0181 Uani 1.0000 LI
  H1  .947(8)  .164(9)  .0345(16)  .043(18) Uiso 1.0000 H
  H2  .974(8)  .234(5)  .137(5)  .043(18) Uiso 1.0000 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
  W1  .01885(13)  .01599(13)  .01286(13)  .00162(9)  .00110(10)
  -.00208(9)
  O2  .023(2)  .041(3)  .027(2)  .006(2)  -.0038(18)  -.004(2)
  O3  .034(2)  .021(2)  .026(2)  .0042(19)  .002(2)  -.0066(19)
  O4  .030(2)  .019(2)  .020(3)  -.0027(17)  -.0045(18)  .0021(15)
  O5  .032(2)  .027(2)  .022(2)  -.008(2)  .0071(18)  -.0051(19)
  O1  .035(2)  .0195(19)  .025(2)  .0032(19)  -.0065(19)  -.0019(17)
  K1  .0301(5)  .0276(6)  .0244(6)  .0026(5)  -.0012(6)  .0004(7)
  Li1  .020(5)  .020(5)  .014(5)  .002(4)  .005(4)  .002(4)
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
  O1 H1 .  .92(3) no
  O1 H2 .  .92(5) no
  W1 O2 . 1.766(4) yes
  W1 O3 . 1.746(4) yes
  W1 O4 . 1.784(4) yes
  W1 O5 . 1.786(4) yes
  Li1 O2 . 1.930(10)
  yes
  Li1 O4 3_545 1.920(10)
  yes
  Li1 O5 8 1.950(10)
  yes
  Li1 O1 3_655 1.980(10)
  yes
  K1 O2 3_545 2.801(5) yes
  K1 O2 . 3.090(6) yes
  K1 O3 5 2.792(5) yes
  K1 O3 7_565 2.865(5) yes
  K1 O4 6_545 2.853(5) yes
  K1 O5 . 3.104(5) yes
  K1 O1 6_655 3.011(5) yes
  K1 O1 8_455 3.026(5) yes