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#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/34/8103460.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8103460
loop_
_publ_author_name
'Peters, K.'
'von Schnering, H.G.'
'Curda, J.'
'Herterich, U.'
'Somer, M.'
_publ_section_title
;
 Crystal structure of lithium magnesium nitridoborate, LiMgBN2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              617
_journal_page_last               617
_journal_paper_doi               10.1524/zkri.1994.209.7.617
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'B Li Mg N2'
_chemical_name_systematic        'Li Mg B N2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.798
_cell_length_b                   3.798
_cell_length_c                   8.916
_cell_volume                     128.612
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            boron0-1_326.cif
_cod_data_source_block           B1Li1Mg1N2
_cod_original_cell_volume        128.6116
_cod_original_formula_sum        'B1 Li1 Mg1 N2'
_cod_database_code               8103460
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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
N1 N-3 0 0 0.3502 1 0.0
B1 B+3 0 0 0.5 1 0.0
Li1 Li+1 0 0.5 0.25 0.5 0.0
Mg1 Mg+2 0 0.5 0.25 0.5 0.0
