data_global
_amcsd_formula_title 'K(H2O)Ga(H1.5AsO4)2(H2AsO4)'
loop_
_publ_author_name
'Schwendtner K'
'Kolitsch U'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 19 
_journal_year 2007
_journal_page_first 399
_journal_page_last 409
_publ_section_title
;
 Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4)
 (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy
;
_database_code_amcsd 0007222
_chemical_formula_sum 'K O13 Ga As3 H7'
_cell_length_a 4.641
_cell_length_b 8.696
_cell_length_c 13.772
_cell_angle_alpha 90
_cell_angle_beta 94.71
_cell_angle_gamma 90
_cell_volume 553.935
_exptl_crystal_density_diffrn      3.289
_symmetry_space_group_name_H-M 'P 1 2/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,1/2-z'
  '1/2+x,-y,1/2+z'
  '-x,-y,-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
K   0.62210   0.99480   0.00933   0.50000   0.04020
O7   0.75000   0.34160   0.25000   1.00000   0.02230
Ga   0.75000   0.77461   0.25000   1.00000   0.01229
As1   0.20831   0.65344   0.10342   1.00000   0.01268
As2   0.25000   0.03104   0.25000   1.00000   0.01297
O1  -0.02450   0.61440   0.18641   1.00000   0.01510
O2   0.47670   0.77660   0.13442   1.00000   0.01520
O3   0.32940   0.48300   0.06510   1.00000   0.02090
O4   0.04130   0.74490   0.00288   1.00000   0.02360
O5  -0.02360   0.93760   0.19101   1.00000   0.01440
O6   0.13450   0.14990   0.33841   1.00000   0.02280
H1  -0.00900   0.21200   0.31700   1.00000   0.10000
H2  -0.07600   0.67500  -0.02600   1.00000   0.08000
H3   0.84200   0.40700   0.21700   1.00000   0.03400
H4   0.46400   0.50400   0.02400   0.50000   0.02000