
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_23017-ICSD
_database_code_ICSD 23017
_audit_creation_date 1980-01-01
_audit_update_record 2006-04-01
_chemical_name_common 'Tetralithium zinc bis(phosphate(V))'
_chemical_formula_structural 'Li4 Zn (P O4)2'
_chemical_formula_sum 'Li4 O8 P2 Zn1'
_exptl_crystal_density_diffrn 2.88
_citation_title
'Crystal structure of lithium zinc orthophosphate Li4 Zn (P O4)2'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Doklady Akademii Nauk SSSR' 1976 228 344 347 DANKAS
loop_
_citation_author_citation_id
_citation_author_name
primary 'Sandomirskii, P.A.'
primary 'Simonov, M.A.'
primary 'Belov, N.V.'
_cell_length_a 8.103(2)
_cell_length_b 8.121(2)
_cell_length_c 10.276(2)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 104.87(2)
_cell_volume 653.56
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P 1 1 21'
_space_group_IT_number 4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x, -y, z+1/2'
2 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Zn2+ 2
P5+ 5
O2- -2
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
Li1 Li1+ 2 a 0.0871(29) 0.3379(29) 0.9892(17) 0.94(2) 1.
Li2 Li1+ 2 a 0.5910(28) 0.3420(28) 0.8089(18) 0.61(2) 1.
Li3 Li1+ 2 a 0.1578(23) 0.4110(19) 0.4948(22) 0.69(2) 1.
Li4 Li1+ 2 a 0.6448(21) 0.3863(19) 0.3226(22) 0.38(2) 1.
Li5 Li1+ 2 a 0.4112(25) 0.1612(26) 0.5001(23) 1.46(2) 1.
Li6 Li1+ 2 a 0.8952(26) 0.1472(27) 0.3036(22) 0.57(2) 1.
Li7 Li1+ 2 a 0.9865(24) 0.4911(21) 0.2366(20) 0.85(2) 1.
Li8 Li1+ 2 a 0.4671(24) 0.4630(21) 0.5825(20) 1.43(2) 1.
Zn1 Zn2+ 2 a 0.3430(2) 0.0936(2) 0 0.49(2) 1.
Zn2 Zn2+ 2 a 0.8372(2) 0.0885(2) 0.8134(1) 0.55(2) 1.
P1 P5+ 2 a 0.2766(5) 0.2885(5) 0.2472(4) 0.34(2) 1.
P2 P5+ 2 a 0.7796(5) 0.2921(5) 0.5641(5) 0.46(2) 1.
P3 P5+ 2 a 0.2147(5) 0.2294(5) 0.7484(4) 0.28(2) 1.
P4 P5+ 2 a 0.7147(5) 0.2312(5) 0.0629(5) 0.53(2) 1.
O1 O2- 2 a 0.5630(8) 0.0684(8) 0.0494(7) 0.17(2) 1.
O2 O2- 2 a 0.0682(11) 0.0745(12) 0.7507(9) 1.15(2) 1.
O3 O2- 2 a 0.2311(9) 0.2365(8) 0.1057(8) 0.59(2) 1.
O4 O2- 2 a 0.7523(9) 0.2539(8) 0.7123(8) 0.56(2) 1.
O5 O2- 2 a 0.7624(9) 0.2682(9) 0.2051(8) 0.37(2) 1.
O6 O2- 2 a 0.2819(9) 0.2802(10) 0.6093(9) 0.70(2) 1.
O7 O2- 2 a 0.4389(10) 0.4406(10) 0.2502(8) 0.47(2) 1.
O8 O2- 2 a 0.9357(11) 0.4348(11) 0.5501(8) 0.70(2) 1.
O9 O2- 2 a 0.1238(11) 0.3362(12) 0.3088(12) 0.50(2) 1.
O10 O2- 2 a 0.6190(12) 0.3393(13) 0.5072(13) 0.78(2) 1.
O11 O2- 2 a 0.3198(9) 0.1366(9) 0.3191(9) 0.57(2) 1.
O12 O2- 2 a 0.8055(10) 0.1385(10) 0.4860(9) 0.66(2) 1.
O13 O2- 2 a 0.1536(9) 0.3779(11) 0.8096(11) 0.79(2) 1.
O14 O2- 2 a 0.6678(9) 0.3834(10) 0.0001(10) 0.46(2) 1.
O15 O2- 2 a 0.3668(9) 0.1866(9) 0.8230(9) 0.58(2) 1.
O16 O2- 2 a 0.8663(10) 0.2018(10) 0.9834(9) 0.68(2) 1.
#End of TTdata_23017-ICSD