data_global
_amcsd_formula_title 'K(H2O)Fe(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 0007221
_chemical_formula_sum 'K O13 Fe As3 H7'
_cell_length_a 4.700
_cell_length_b 8.712
_cell_length_c 13.828
_cell_angle_alpha 90
_cell_angle_beta 94.86
_cell_angle_gamma 90
_cell_volume 564.171
_exptl_crystal_density_diffrn      3.148
_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   0.61830   0.99480   0.00910   0.50000   0.04690
O7   0.75000   0.34740   0.25000   1.00000   0.02480
Fe   0.75000   0.77744   0.25000   1.00000   0.01630
As1   0.20590   0.65359   0.10111   1.00000   0.01445
As2   0.25000   0.03815   0.25000   1.00000   0.01560
O1  -0.02350   0.61610   0.18400   1.00000   0.01800
O2   0.47260   0.77550   0.13270   1.00000   0.01780
O3   0.32650   0.48320   0.06360   1.00000   0.02340
O4   0.04110   0.74570   0.00170   1.00000   0.02640
O5  -0.02000   0.94400   0.19160   1.00000   0.01780
O6   0.13280   0.15580   0.33810   1.00000   0.02630
H1   0.00800   0.23000   0.32200   1.00000   0.03500
H2  -0.05800   0.66800  -0.02600   1.00000   0.02600
H3   0.82270   0.41360   0.20720   1.00000   0.06000
H4   0.45780   0.50490   0.02800   0.50000   0.05000