#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/12/1511214.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_1511214
loop_
_publ_author_name
'Meyer, H.J.'
'Jing, H.'
_publ_section_title
;
 La6 (B N3) O6, ein Nitridoborat-Oxid des Lanthans
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1548
_journal_page_last               1551
_journal_paper_doi
10.1002/1521-3749(200207)628:7<1548::AID-ZAAC1548>3.0.CO;2-E
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'B La6 N3 O6'
_chemical_name_systematic        'La6 (B N3) O6'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.6688
_cell_length_b                   25.092
_cell_length_c                   11.0112
_cell_volume                     1013.664
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_324.cif
_cod_data_source_block           B1La6N3O6
_cod_original_formula_sum        'B1 La6 N3 O6'
_cod_database_code               1511214
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-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
-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
N2 N-3 0 0.1988 0.25 1 0.0
La3 La+3 0 0.30088 0.25 1 0.0
La1 La+3 0 0.06783 0.56609 1 0.0
O4 O-2 0.5 0 0.5 1 0.0
La2 La+3 0.5 0.18718 0.43155 1 0.0
O3 O-2 0.5 0.2832 0.4084 1 0.0
O1 O-2 0 0.0147 0.75 1 0.0
B1 B+3 0 0.1411 0.25 1 0.0
O2 O-2 0.5 0.1235 0.6075 1 0.0
La4 La+3 0.5 -0.04817 0.75 1 0.0
N1 N-3 0 0.1104 0.3653 1 0.0
