data_1007161
_chemical_name_systematic          'Potassium barium phosphate'
_chemical_formula_structural       'K Ba P O4'
_chemical_formula_sum              'Ba K O4 P'
_publ_section_title
;
Chemical preparation and crystal structure refinement of K Ba P O~4~
monophosphate
;
loop_
_publ_author_name
  'Masse, R'
  'Durif, A'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    71
_journal_year                      1987
_journal_page_first                574
_journal_page_last                 576
_cell_length_a                     7.709(4)
_cell_length_b                     5.663(4)
_cell_length_c                     9.972(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       435.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  P5+    5.000
  K1+    1.000
  O2-   -2.000
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
  Ba1   Ba2+   4 c -0.00928(2) 0.25 0.19501(2) 1.  0 d
  P1    P5+    4 c 0.2361(1) 0.25 0.91761(9) 1.  0 d
  K1    K1+    4 c 0.1619(1) 0.25 0.58597(9) 1.  0 d
  O1    O2-    8 d 0.1976(2) -0.0268(3) 0.3460(2) 1.  0 d
  O2    O2-    4 c 0.0358(3) 0.25 0.9164(3) 1.  0 d
  O3    O2-    4 c 0.3015(3) 0.25 0.0643(3) 1.  0 d
_refine_ls_R_factor_all            0.016