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#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/12/1511217.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_1511217
loop_
_publ_author_name
'Legagneur, V.'
'Mosbah, A.'
'An, Y.'
'Piffard, Y.'
'Verbaere, A.'
'le Gal la Salle, A.'
'Guyomard, D.'
'Portal, R.'
_publ_section_title
;
 Li M B O3 (M = Mn, Fe, Co): synthesis, crystal structure and lithium
 deinsertion/insertion properties
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              37
_journal_page_last               46
_journal_paper_doi               10.1016/S0167-2738(00)00813-4
_journal_volume                  139
_journal_year                    2001
_chemical_formula_sum            'B Li Mn O3'
_chemical_name_systematic        'Li Mn (B O3)'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.172
_cell_length_b                   8.172
_cell_length_c                   3.1473
_cell_volume                     182.023
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            boron0-1_329.cif
_cod_data_source_block           B1Li1Mn1O3
_cod_original_cell_volume        182.0227
_cod_original_formula_sum        'B1 Li1 Mn1 O3'
_cod_database_code               1511217
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-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
O3 O-2 0.7505 0.2227 0.5 1 0.0
Mn1 Mn+2 0.37077 0.35891 0 1 0.0
B1 B+3 0.3333 0.6667 0.5 1 0.0
Li1 Li+1 0.019 0.303 0.5 1 0.0
O2 O-2 0.1162 -0.078 0 1 0.0
B3 B+3 0.6667 0.3333 0.5 1 0.0
O1 O-2 0.1389 0.5808 0.5 1 0.0
B2 B+3 0 0 0 1 0.0
