
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_38250-ICSD
_database_code_ICSD 38250
_audit_creation_date 1985-09-12
_audit_update_record 2012-08-01
_chemical_name_common 'Lithium potassium catena-phosphate'
_chemical_formula_structural 'Li K (P O3)2'
_chemical_formula_sum 'K1 Li1 O6 P2'
_exptl_crystal_density_diffrn 2.45
_citation_title
"Structure d'un polyphosphate mixte de lithium et de potassium, Li K (P O3)2"
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica, Section C: Crystal Structure Communications'
1983 39 1597 1599 ACSCEE
loop_
_citation_author_citation_id
_citation_author_name
primary 'El Horr, N.'
primary 'Bagieu, M.'
primary 'Tordjman, I.'
_cell_length_a 15.43(1)
_cell_length_b 5.512(5)
_cell_length_c 13.72(1)
_cell_angle_alpha 90.
_cell_angle_beta 108.53(5)
_cell_angle_gamma 90.
_cell_volume 1106.39
_cell_formula_units_Z 8
_space_group_name_H-M_alt 'P 1 21/a 1'
_space_group_IT_number 14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x+1/2, -y+1/2, z'
2 '-x, -y, -z'
3 '-x+1/2, y+1/2, -z'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1
P5+ 5
O2- -2
Li1+ 1
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_B_iso_or_equiv
_atom_site_occupancy
K1 K1+ 4 e 0.14036(5) 0.1661(2) 0.87449(6) . 1.
K2 K1+ 4 e 0.36795(5) 0.3244(2) 0.62533(6) . 1.
P1 P5+ 4 e 0.48511(5) 0.1507(2) 0.35836(6) . 1.
P2 P5+ 4 e 0.02067(5) 0.3312(2) 0.16069(6) . 1.
P3 P5+ 4 e 0.19335(5) 0.1919(2) 0.14413(6) . 1.
P4 P5+ 4 e 0.30705(5) 0.3163(2) 0.35469(6) . 1.
O1 O2- 4 e 0.4784(2) 0.2563(5) 0.2472(2) . 1.
O2 O2- 4 e 0.1169(1) 0.1888(5) 0.2008(2) . 1.
O3 O2- 4 e 0.2817(2) 0.2765(6) 0.2338(2) . 1.
O4 O2- 4 e 0.4164(1) 0.3374(5) 0.3848(2) . 1.
O5 O2- 4 e 0.0517(2) 0.4012(5) 0.6509(2) . 1.
O6 O2- 4 e 0.0777(2) 0.2976(6) 0.4283(2) . 1.
O7 O2- 4 e 0.4613(2) 0.0963(5) 0.8329(2) . 1.
O8 O2- 4 e 0.4627(2) 0.2806(5) 0.0649(2) . 1.
O9 O2- 4 e 0.2935(2) 0.4410(5) 0.8855(2) . 1.
O10 O2- 4 e 0.1730(2) 0.3849(5) 0.0651(2) . 1.
O11 O2- 4 e 0.2238(2) 0.0575(5) 0.6244(2) . 1.
O12 O2- 4 e 0.2836(2) 0.1001(5) 0.4044(2) . 1.
Li1 Li1+ 4 e 0.1381(4) 0.317(1) 0.5721(5) . 1.
Li2 Li1+ 4 e 0.3898(4) 0.197(1) 0.9308(4) . 1.
#End of TTdata_38250-ICSD