data_1008946
_chemical_name_systematic          'Lithium potassium bis(catena-phosphate(V))'
_chemical_formula_structural       'Li K (P O3)2'
_chemical_formula_sum              'K Li O6 P2'
_publ_section_title
;
Structure de la forme de haute temperature du polyphosphate de lithium
et de potassium: Li K (P O3)2
;
loop_
_publ_author_name
  'El=Horr, N'
  'Bagieu, M'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    41
_journal_year                      1985
_journal_page_first                1157
_journal_page_last                 1159
_cell_length_a                     13.753(5)
_cell_length_b                     13.818(5)
_cell_length_c                     11.865(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90.34(5)
_cell_angle_gamma                  90
_cell_volume                       2254.8
_cell_formula_units_Z              16
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  P5+    5.000
  O2-   -2.000
  Li1+   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+    8 f 0.12760(4) 0.12565(6) 0.46997(5) 1.  0 d
  K2    K1+    8 f 0.15452(4) 0.37588(5) 0.04395(5) 1.  0 d
  P1    P5+    4 e 0.5 0.97937(7) 0.25 1.  0 d
  P2    P5+    8 f 0.42080(4) 0.13089(5) 0.40081(5) 1.  0 d
  P3    P5+    8 f 0.29169(4) 0.23948(5) 0.25151(5) 1.  0 d
  P4    P5+    8 f 0.15071(4) 0.09642(5) 0.16347(5) 1.  0 d
  P5    P5+    4 e 0.5 0.46530(6) 0.25 1.  0 d
  O1    O2-    8 f 0.4968(1) 0.0508(1) 0.3575(1) 1.  0 d
  O2    O2-    8 f 0.3809(1) 0.1698(1) 0.2818(2) 1.  0 d
  O3    O2-    8 f 0.2000(1) 0.1681(1) 0.2540(2) 1.  0 d
  O4    O2-    8 f 0.0908(1) 0.0377(1) 0.2577(1) 1.  0 d
  O5    O2-    8 f 0.0935(1) 0.4266(1) 0.2587(2) 1.  0 d
  O6    O2-    8 f 0.3410(1) 0.0838(1) 0.4643(2) 1.  0 d
  O7    O2-    8 f 0.9796(1) 0.2937(1) 0.9583(2) 1.  0 d
  O8    O2-    8 f 0.3083(1) 0.2727(1) 0.1335(2) 1.  0 d
  O9    O2-    8 f 0.2754(1) 0.3092(1) 0.3440(2) 1.  0 d
  O10   O2-    8 f 0.2247(1) 0.0335(1) 0.1112(2) 1.  0 d
  O11   O2-    8 f 0.0843(2) 0.1514(2) 0.0888(2) 1.  0 d
  O12   O2-    8 f 0.4988(1) 0.4137(2) 0.3591(2) 1.  0 d
  Li1   Li1+   8 f 0.1918(3) 0.4199(4) 0.3718(4) 1.  0 d
  Li2   Li1+   8 f 0.4309(3) 0.3138(3) 0.0678(4) 1.  0 d
_refine_ls_R_factor_all            0.023