#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511216.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_1511216
loop_
_publ_author_name
'Egorov-Tismenko, Yu.K.'
'Bondareva, O.S.'
'Simonov, M.A.'
'Belov, N.V.'
_publ_section_title
;
 The crystal structures of Li Zn (B O3) and Li Mn (B O3)
;
_journal_name_full               Kristallografiya
_journal_page_first              487
_journal_page_last               490
_journal_volume                  23
_journal_year                    1978
_chemical_formula_sum            'B Li Mn O3'
_chemical_name_systematic        'Li Mn (B O3)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.75
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.188
_cell_length_b                   8.952
_cell_length_c                   10.367
_cell_volume                     481.250
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            boron0-1_328.cif
_cod_data_source_block           B1Li1Mn1O3
_cod_original_cell_volume        481.2498
_cod_original_formula_sum        'B1 Li1 Mn1 O3'
_cod_database_code               1511216
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+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
Mn1 Mn+2 0.1676 0.1647 0.1312 0.5 0.0
O1 O-2 0.4074 0.3398 0.0892 1 0.0
O2 O-2 0.2739 0.6928 0.1598 1 0.0
Mn2 Mn+2 0.1582 0.1616 0.1173 0.5 0.0
O3 O-2 0.3168 0.9548 0.1262 1 0.0
Li1 Li+1 0.153 0.502 0.079 0.5 0.0
B1 B+3 0.1671 0.8285 0.1253 1 0.0
Li2 Li+1 0.164 0.484 0.167 0.5 0.0
