
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_429249-ICSD
_database_code_ICSD 429249
_audit_creation_date 2015-08-01
_chemical_name_common 'Trilithium pentaicosaoxo-arsenoheptatungstate'
_chemical_formula_structural 'Li3 (As W7 O25)'
_chemical_formula_sum 'As1 Li3 O25 W7'
_chemical_name_structure_type Li3AsW7O25
_exptl_crystal_density_diffrn 6.61
_diffrn_ambient_temperature 293.
_citation_title

;
Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis
and characterization
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 2015 226 81 87 JSSCBI
loop_
_citation_author_citation_id
_citation_author_name
primary 'Zhao, Pei'
primary 'Mangir Murshed, M.'
primary 'Huq, Ashfia'
primary 'Grossmann, Henrike K.'
primary 'Maedler, Lutz'
primary 'Alekseev, Evgeny V.'
primary 'Gesing, Thorsten M.'
_cell_length_a 7.2455(15)
_cell_length_b 10.081(2)
_cell_length_c 49.048(10)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 3582.55
_cell_formula_units_Z 8
_space_group_name_H-M_alt 'P b c a'
_space_group_IT_number 61
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x+1/2, y, -z+1/2'
2 'x, -y+1/2, z+1/2'
3 '-x+1/2, y+1/2, z'
4 '-x, -y, -z'
5 '-x+1/2, -y, z+1/2'
6 '-x, y+1/2, -z+1/2'
7 'x+1/2, -y+1/2, -z'
8 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
W6+ 6
As5+ 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_U_iso_or_equiv
_atom_site_occupancy
W1 W6+ 8 c 0.1178 0.924 0.2512 0.00479(13) 1
W2 W6+ 8 c 0.1285 0.2113 0.2012 0.00420(13) 1
W3 W6+ 8 c 0.8815 0.9579 0.1572 0.00419(13) 1
W4 W6+ 8 c 0.3728 0.0053 0.1482 0.00365(13) 1
W5 W6+ 8 c 0.8749 0.2594 0.1063 0.00358(13) 1
W6 W6+ 8 c 0.6283 0.054 0.055 0.00356(13) 1
W7 W6+ 8 c 0.1209 0.0494 0.0561 0.00364(13) 1
As1 As5+ 8 c 0.6245 0.1549 0.9876 0.0033(3) 1
O1 O2- 8 c 0.6266 0.9206 0.0781 0.007(2) 1
O2 O2- 8 c 0.374 0.1184 0.1219 0.010(2) 1
O3 O2- 8 c 0.3196 0.2677 0.2207 0.012(3) 1
O4 O2- 8 c 0.871 0.8265 0.1789 0.009(2) 1
O5 O2- 8 c 0.115 0.3377 0.177 0.010(2) 1
O6 O2- 8 c 0.879 0.1111 0.1243 0.010(2) 1
O7 O2- 8 c 0.7014 0.1861 0.0773 0.009(2) 1
O8 O2- 8 c 0.622 0.1832 0.0212 0.007(2) 1
O9 O2- 8 c 0.8119 0.0682 0.978 0.008(2) 1
O10 O2- 8 c 0.052 0.1822 0.0778 0.009(2) 1
O11 O2- 8 c 0.0587 0.3473 0.1224 0.010(3) 1
O12 O2- 8 c 0.6868 0.3386 0.1233 0.008(2) 1
O13 O2- 8 c 0.8803 0.0196 0.0427 0.010(2) 1
O14 O2- 8 c 0.9385 0.2603 0.2225 0.008(2) 1
O15 O2- 8 c 0.9508 0.0878 0.1801 0.007(2) 1
O16 O2- 8 c 0.4306 0.0785 0.9769 0.007(2) 1
O17 O2- 8 c 0.628 0.3135 0.9775 0.009(2) 1
O18 O2- 8 c 0.1271 0.9353 0.1432 0.005(2) 1
O19 O2- 8 c 0.126 0.9223 0.0789 0.011(2) 1
O20 O2- 8 c 0.627 0.0009 0.1556 0.011(2) 1
O21 O2- 8 c 0.3778 0.0832 0.0565 0.013(3) 1
O22 O2- 8 c 0.1571 0.0342 0.2231 0.011(3) 1
O23 O2- 8 c 0.8712 0.884 0.24 0.010(2) 1
O24 O2- 8 c 0.3023 0.1052 0.1763 0.009(2) 1
O25 O2- 8 c 0.0785 0.0363 0.2763 0.014(3) 1
Li1 Li1+ 8 c 0.642 0.389 0.0133 0.034(11) 1
Li2 Li1+ 8 c 0.871 0.719 0.2093 0.027(9) 1
Li3 Li1+ 8 c 0.379 0.295 0.1085 0.016(8) 1
#End of TTdata_429249-ICSD