
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_200520-ICSD
_database_code_ICSD 200520
_audit_creation_date 1980-01-01
_audit_update_record 2003-04-01
_chemical_name_common 'Lithium praseodymium bis(tungstate)'
_chemical_formula_structural 'Li Pr (W O4)2'
_chemical_formula_sum 'Li1 O8 Pr1 W2'
_chemical_name_structure_type CuLa(WO4)2
_exptl_crystal_density_diffrn 6.89
_citation_title

;
Triclinic modification of lithium-rare earth tungstates Li Ln (W O4)2, where
Ln is La-Sm
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary Kristallografiya 1979 24 446 454 KRISAJ
loop_
_citation_author_citation_id
_citation_author_name
primary 'Klevtsova, R.F.'
primary 'Kharchenko, L.Yu.'
primary 'Borisov, S.V.'
primary 'Efremov, V.A.'
primary 'Klevtsov, P.V.'
_cell_length_a 7.467(3)
_cell_length_b 8.030(4)
_cell_length_c 7.089(2)
_cell_angle_alpha 114.47(2)
_cell_angle_beta 115.37(2)
_cell_angle_gamma 56.23(2)
_cell_volume 310.37
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P -1'
_space_group_IT_number 2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x, -y, -z'
2 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
W6+ 6
Pr3+ 3
Li1+ 1
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
W1 W6+ 2 i 0.1834(1) 0.1041(1) 0.6455(1) . 1.
W2 W6+ 2 i 0.7306(1) 0.2958(1) 0.2581(1) . 1.
Pr1 Pr3+ 2 i 0.1714(1) 0.2839(1) 0.1811(1) . 1.
Li1 Li1+ 2 i 0.669(5) 0.319(4) 0.755(5) 1.7 1.
O1 O2- 2 i 0.089(1) 0.168(1) 0.384(1) 0.85 1.
O2 O2- 2 i 0.815(1) 0.172(1) 0.515(1) 0.54 1.
O3 O2- 2 i 0.187(1) 0.009(1) 0.861(1) 0.72 1.
O4 O2- 2 i 0.470(1) 0.013(1) 0.705(1) 0.97 1.
O5 O2- 2 i 0.081(1) 0.357(1) 0.820(1) 0.73 1.
O6 O2- 2 i 0.442(1) 0.364(1) 0.182(1) 0.81 1.
O7 O2- 2 i 0.783(1) 0.304(1) 0.040(1) 0.82 1.
O8 O2- 2 i 0.284(1) 0.466(1) 0.555(1) 0.92 1.
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_B_11
_atom_site_aniso_B_22
_atom_site_aniso_B_33
_atom_site_aniso_B_12
_atom_site_aniso_B_13
_atom_site_aniso_B_23
W1 W6+ 0.05 0.04 0.145 0.1 0.02 -0.07
W2 W6+ 0.075 0.09 0.14 0.12 0.03 -0.075
Pr1 Pr3+ 0.085 0.11 0.17 0.095 0.055 -0.115
#End of TTdata_200520-ICSD