
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_291513-ICSD
_database_code_ICSD 291513
_audit_creation_date 2016-02-01
_chemical_name_common 'Lithium disodium pentaborotetradecaoxodiphosphate(V)'
_chemical_formula_structural 'Li Na2 B5 P2 O14'
_chemical_formula_sum 'B5 Li1 Na2 O14 P2'
_exptl_crystal_density_diffrn 2.31
_citation_title

;
Synthesis and crystal structure analysis of Li2 Na B P2 O8 and Li Na2 B5 P2
O14
;
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 225 65 71 JSSCBI
loop_
_citation_author_citation_id
_citation_author_name
primary 'Hasegawa, Toru'
primary 'Yamane, Hisanori'
_cell_length_a 8.208(3)
_cell_length_b 9.151(3)
_cell_length_c 8.349(3)
_cell_angle_alpha 90
_cell_angle_beta 115.709(7)
_cell_angle_gamma 90
_cell_volume 565.03
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P 1 21/m 1'
_space_group_IT_number 11
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y+1/2, z'
2 '-x, -y, -z'
3 '-x, y+1/2, -z'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Na1+ 1
B3+ 3
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_U_iso_or_equiv
_atom_site_occupancy
Li1 Li1+ 2 e 0.0144(8) 0.25 0.7154(8) 0.0183(13) 1.
Na1 Na1+ 2 e 0.6034(2) 0.25 0.53499(19) 0.0260(4) 1.
Na2 Na1+ 2 e 0.8341(2) 0.25 0.95832(19) 0.0255(4) 1.
B1 B3+ 2 e 0.2656(5) 0.25 0.5453(5) 0.0124(8) 1.
B2 B3+ 2 e 0.2806(5) 0.25 0.0982(5) 0.0123(8) 1.
B3 B3+ 2 e 0.9490(5) 0.25 0.3494(5) 0.0120(8) 1.
B4 B3+ 2 e 0.4151(5) 0.25 0.8845(5) 0.0147(8) 1.
B5 B3+ 2 e 0.6105(5) 0.25 0.1995(5) 0.0157(8) 1.
P1 P5+ 4 f 0.15342(8) 0.05756(7) 0.27310(8) 0.0120(2) 1.
O1 O2- 4 f 0.2981(2) 0.11792(19) 0.4514(2) 0.0136(4) 1.
O2 O2- 4 f 0.0322(2) 0.6182(2) 0.7508(2) 0.0196(4) 1.
O3 O2- 4 f 0.1859(3) 0.1187(2) 0.1168(2) 0.0266(5) 1.
O4 O2- 4 f 0.1555(2) 0.6040(2) 0.2673(2) 0.0176(4) 1.
O5 O2- 2 e 0.4104(3) 0.25 0.7209(3) 0.0158(5) 1.
O6 O2- 2 e 0.0849(3) 0.25 0.5273(3) 0.0127(5) 1.
O7 O2- 2 e 0.2656(3) 0.25 0.9166(3) 0.0127(5) 1.
O8 O2- 2 e 0.4630(3) 0.25 0.2318(3) 0.0233(7) 1.
O9 O2- 2 e 0.7726(3) 0.25 0.3418(3) 0.0184(6) 1.
O10 O2- 2 e 0.5881(3) 0.25 0.0243(3) 0.0194(6) 1.
#End of TTdata_291513-ICSD