
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_65764-ICSD
_database_code_ICSD 65764
_audit_creation_date 1990-06-08
_audit_update_record 2012-02-01
_chemical_name_common 'Lithium zinc phosphate(V) - alpha'
_chemical_formula_structural 'Li Zn (P O4)'
_chemical_formula_sum 'Li1 O4 P1 Zn1'
_chemical_name_structure_type Î±-LiZnPO4
_exptl_crystal_density_diffrn 3.3
_diffrn_ambient_temperature 298.
_citation_title 'Structure of alpha - Li Zn P O4'
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'
1989 45 1864 1867 ACSCEE
loop_
_citation_author_citation_id
_citation_author_name
primary 'Elammari, L.'
primary 'Elouadi, B.'
_cell_length_a 17.250(6)
_cell_length_b 9.767(3)
_cell_length_c 17.106(6)
_cell_angle_alpha 90.
_cell_angle_beta 110.9(3)
_cell_angle_gamma 90.
_cell_volume 2692.41
_cell_formula_units_Z 32
_space_group_name_H-M_alt 'C 1 c 1'
_space_group_IT_number 9
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y, z+1/2'
2 'x, y, z'
3 'x+1/2, -y+1/2, z+1/2'
4 'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zn2+ 2
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
Zn1 Zn2+ 4 a 0.949 -0.2863(1) 0.4639 . 1.
Zn2 Zn2+ 4 a 0.1987(1) -0.0361(1) 0.4645(1) . 1.
Zn3 Zn2+ 4 a -0.0833(1) -0.1828(1) -0.0364(1) . 1.
Zn4 Zn2+ 4 a 0.1620(1) -0.6894(1) 0.2146(1) . 1.
Zn5 Zn2+ 4 a -0.0902(1) 0.0624(1) 0.2148(1) . 1.
Zn6 Zn2+ 4 a -0.3692(1) -0.7141(1) 0.2140(1) . 1.
Zn7 Zn2+ 4 a 0.1674(1) -0.5703(1) 0.4633(1) . 1.
Zn8 Zn2+ 4 a -0.1160(1) -0.4659(1) 0.2151(1) . 1.
P1 P5+ 4 a -0.1467(1) 0.0630(2) 0.0252(1) . 1.
P2 P5+ 4 a -0.1189(1) -0.4686(2) 0.0268(1) . 1.
P3 P5+ 4 a -0.1493(1) -0.1881(2) 0.2775(1) . 1.
P4 P5+ 4 a -0.1797(1) -0.7159(2) 0.2756(1) . 1.
P5 P5+ 4 a 0.1332(1) -0.2826(2) 0.5269(1) . 1.
P6 P5+ 4 a -0.3982(1) -0.6886(1) 0.0247(1) . 1.
P7 P5+ 4 a 0.0723(1) -0.4680(2) 0.2759(1) . 1.
P8 P5+ 4 a 0.0990(1) 0.0612(2) 0.2777(1) . 1.
O1 O2- 4 a -0.1644(3) -0.0353(4) -0.0495(3) . 1.
O2 O2- 4 a -0.2227(2) 0.1544(4) 0.0094(3) . 1.
O3 O2- 4 a -0.1301(3) -0.0290(4) 0.1048(3) . 1.
O4 O2- 4 a -0.0689(2) 0.1502(4) 0.0384(3) . 1.
O5 O2- 4 a -0.0426(2) -0.5325(4) 0.0156(3) . 1.
O6 O2- 4 a -0.1964(2) -0.4987(5) -0.0518(3) . 1.
O7 O2- 4 a -0.1046(3) -0.3134(4) 0.0404(3) . 1.
O8 O2- 4 a -0.1366(3) -0.5342(5) 0.1010(3) . 1.
O9 O2- 4 a -0.1577(3) -0.2792(4) 0.2010(3) . 1.
O10 O2- 4 a -0.1326(2) -0.2848(4) 0.3522(3) . 1.
O11 O2- 4 a -0.2285(3) -0.1035(4) 0.2610(3) . 1.
O12 O2- 4 a -0.0748(2) -0.0904(4) 0.2945(3) . 1.
O13 O2- 4 a -0.1024(2) -0.7516(4) 0.3524(3) . 1.
O14 O2- 4 a -0.1654(3) -0.7812(5) 0.1993(3) . 1.
O15 O2- 4 a -0.2570(3) -0.7747(4) 0.2875(3) . 1.
O16 O2- 4 a -0.1903(2) -0.5611(4) 0.2628(3) . 1.
O17 O2- 4 a 0.1190(3) -0.2273(4) 0.6036(3) . 1.
O18 O2- 4 a 0.2094(3) -0.2193(4) 0.5154(3) . 1.
O19 O2- 4 a 0.1461(3) -0.4377(4) 0.5396(3) . 1.
O20 O2- 4 a 0.0548(3) -0.2503(5) 0.4504(3) . 1.
O21 O2- 4 a -0.3839(3) -0.7771(4) 0.1014(3) . 1.
O22 O2- 4 a -0.3213(3) -0.6008(4) 0.0390(3) . 1.
O23 O2- 4 a -0.4131(3) -0.7835(4) -0.0510(3) . 1.
O24 O2- 4 a -0.4745(2) -0.5953(4) 0.0095(3) . 1.
O25 O2- 4 a 0.0597(2) -0.3121(4) 0.2627(3) . 1.
O26 O2- 4 a 0.1503(2) -0.4987(5) 0.3533(3) . 1.
O27 O2- 4 a -0.0051(2) -0.5289(4) 0.2868(3) . 1.
O28 O2- 4 a 0.0871(3) -0.5285(5) 0.2000(3) . 1.
O29 O2- 4 a 0.0198(2) 0.1471(4) 0.2613(3) . 1.
O30 O2- 4 a 0.0854(3) -0.0269(5) 0.1999(3) . 1.
O31 O2- 4 a 0.1732(2) 0.1591(4) 0.2935(3) . 1.
O32 O2- 4 a 0.1151(3) -0.0366(4) 0.3526(3) . 1.
Li1 Li1+ 4 a -0.2127(8) -0.6937(10) 0.0903(9) . 1.
Li2 Li1+ 4 a -0.1766(6) -0.2188(9) 0.0880(6) . 1.
Li3 Li1+ 4 a 0.0346(5) -0.1781(10) 0.3393(6) . 1.
Li4 Li1+ 4 a 0.0030(7) -0.7098(12) 0.3380(7) . 1.
Li5 Li1+ 4 a -0.2152(6) -0.4332(11) 0.3395(7) . 1.
Li6 Li1+ 4 a -0.2441(5) 0.0392(9) 0.3399(7) . 1.
Li7 Li1+ 4 a 0.0447(6) 0.0636(10) 0.0890(6) . 1.
Li8 Li1+ 4 a 0.0694(6) -0.464(1) 0.0862(7) . 1.
#End of TTdata_65764-ICSD