data_1511227
_publ_section_title
;
 High- and low-temperature phases of lithium boron nitride, Li3 B N2:
 Preparation, phase relation, crystal structure, and ionic conductivity
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               11
_journal_paper_doi               10.1016/0022-4596(87)90135-6
_journal_volume                  71
_journal_year                    1987
_chemical_formula_sum            'B Li3 N2'
_chemical_name_systematic        'Li3 (B N2)'
_space_group_IT_number           94
_symmetry_space_group_name_Hall  'P 4n 2n'
_symmetry_space_group_name_H-M   'P 42 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6435
_cell_length_b                   4.6435
_cell_length_c                   5.2592
_cell_volume                     113.399
_citation_journal_id_ASTM        JSSCBI
_[local]_cod_data_source_file    boron0-1_340.cif
_[local]_cod_data_source_block   B1Li3N2
_[local]_cod_chemical_formula_sum_orig 'B1 Li3 N2'
_cod_original_cell_volume        113.3994
_cod_database_code               1511227
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
B1 B 0 0 0 1 0.0
N1 N 0.2962 0.2962 0.5 1 0.0
Li2 Li 0 0.5 0.25 1 0.0
Li1 Li 0 0 0.5 1 0.0
