
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_291512-ICSD
_database_code_ICSD 291512
_audit_creation_date 2016-02-01
_chemical_name_common 'Dilithium sodium borodiphosphate(V)'
_chemical_formula_structural 'Li2 Na B P2 O8'
_chemical_formula_sum 'B1 Li2 Na1 O8 P2'
_chemical_name_structure_type Li3BP2O8
_exptl_crystal_density_diffrn 2.68
_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 5.4344(3)
_cell_length_b 7.3793(4)
_cell_length_c 7.9840(4)
_cell_angle_alpha 103.243(3)
_cell_angle_beta 109.270(4)
_cell_angle_gamma 87.391(2)
_cell_volume 294.04
_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
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 i 0.6900(5) 0.4977(4) 0.1418(4) 0.0155(6) 1.
Li2 Li1+ 2 i 0.1455(6) 0.5323(4) 0.4020(4) 0.0171(6) 1.
Na1 Na1+ 2 i 0.74671(14) 0.11920(11) 0.25826(11) 0.02093(19) 1.
B1 B3+ 2 i 0.2505(3) 0.9526(2) 0.2340(2) 0.0090(3) 1.
P1 P5+ 2 i 0.37686(8) 0.22667(5) 0.54175(5) 0.00755(12) 1.
P2 P5+ 2 i 0.14608(8) 0.24889(5) 0.05412(5) 0.00726(12) 1.
O1 O2- 2 i 0.0312(2) 0.81837(16) 0.14920(16) 0.0109(2) 1.
O2 O2- 2 i 0.4984(2) 0.13952(16) 0.71772(16) 0.0105(2) 1.
O3 O2- 2 i 0.9876(2) 0.33397(16) 0.17414(16) 0.0116(3) 1.
O4 O2- 2 i 0.1985(2) 0.37707(16) 0.59626(16) 0.0111(2) 1.
O5 O2- 2 i 0.2757(2) 0.06531(15) 0.10798(16) 0.0100(2) 1.
O6 O2- 2 i 0.3561(2) 0.37424(16) 0.05578(16) 0.0123(3) 1.
O7 O2- 2 i 0.1985(2) 0.06661(15) 0.39521(15) 0.0098(2) 1.
O8 O2- 2 i 0.5829(2) 0.28755(16) 0.49409(16) 0.0124(3) 1.
#End of TTdata_291512-ICSD