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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529511.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_1529511
loop_
_publ_author_name
'Abdullaev, G.K.'
'Mamedov, Kh.S.'
'Dzhafarov, G.G.'
_publ_section_title
;
 The refined crystal structure of lanthanum metaborate La (B O2)3
;
_journal_name_full               Kristallografiya
_journal_page_first              837
_journal_page_last               840
_journal_volume                  26
_journal_year                    1981
_chemical_formula_sum            'B3 La O6'
_chemical_name_systematic        'La (B O2)3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.43
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.509
_cell_length_b                   8.172
_cell_length_c                   7.983
_cell_volume                     423.867
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Abdullaev_KRISAJ_1981_1971.cif
_cod_data_source_block           B3La1O6
_cod_original_cell_volume        423.8674
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_original_formula_sum        'B3 La1 O6'
_cod_database_code               1529511
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+1/2
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,-y+1/2,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 0.0455 0.1667 0.5482 1 0.0
B2 B+3 0.1088 0.3196 0.5214 1 0.0
O1 O-2 0.1445 0.3648 0.3568 1 0.0
La1 La+3 0 0.05085 0.25 1 0.0
B1 B+3 0 0.4695 0.25 1 0.0
O2 O-2 0.1411 0.4373 0.6418 1 0.0
