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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535113.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_1535113
loop_
_publ_author_name
'Srinivasan, R.'
'Tragl, S.'
'Meyer, H.J.'
_publ_section_title
;
 Synthesis and structure of the new compound La2 O (C N2)2 possessing an
 interchanged anion proportion compared to the parent La2 O2 (C N2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              719
_journal_page_last               722
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'C2 La2 N4 O'
_chemical_name_systematic        'La2 O (C N2)2'
_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                 104.805
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.5304
_cell_length_b                   6.2504
_cell_length_c                   6.1017
_cell_volume                     498.892
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Srinivasan_ZAACAB_2005_879.cif
_cod_data_source_block           C2La2N4O1
_cod_original_cell_volume        498.8919
_cod_original_formula_sum        'C2 La2 N4 O1'
_cod_database_code               1535113
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
N2 N-3 0.0923 0.6174 -0.0302 1 0.0
La1 La+3 0.100719 0.21443 0.07542 1 0.0
O1 O-2 0 0.026 -0.25 1 0.0
N1 N-3 0.2915 0.3423 0.2473 1 0.0
C1 C+4 0.153 0.2739 -0.3888 1 0.0
