data_1007141
_chemical_name_systematic
;
DIPOTASSIUM HYDROGENSULFATE DIHYDROGENPHOSPHATE
;
_chemical_formula_structural       'K2 (H S O4) (H2 P O4)'
_chemical_formula_sum              'H3 K2 O8 P S'
_publ_section_title
;
Crystal structure of (K H SO~4~)(K H~2~ P O~4~)
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    15
_journal_year                      1980
_journal_page_first                427
_journal_page_last                 430
_cell_length_a                     7.434(3)
_cell_length_b                     7.341(3)
_cell_length_c                     7.148(3)
_cell_angle_alpha                  90
_cell_angle_beta                   99.56(5)
_cell_angle_gamma                  90
_cell_volume                       384.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  S6+    6.000
  P5+    5.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  K1    K1+    4 ? 0.20842(9) 0.1953(1) 0.6023(1) 1.  0 d
  S1    S6+    4 ? 0.2473(2) 0.2024(2) 0.0942(2) 0.5  0 d
  P1    P5+    4 ? 0.2473(2) 0.2024(2) 0.0942(2) 0.5  0 d
  O1    O2-    4 ? 0.1040(3) 0.2836(4) 0.1966(3) 1.  0 d
  O2    O2-    4 ? 0.1579(3) 0.0463(3) 0.9731(3) 1.  0 d
  O3    O2-    4 ? 0.3273(3) 0.3352(3) 0.9802(3) 1.  0 d
  O4    O2-    4 ? 0.3968(4) 0.1214(4) 0.2429(4) 1.  0 d
  H1    H1+    4 ? -1. -1. -1. 1.5  0 dum
_refine_ls_R_factor_all            0.034