#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535109.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_1535109
loop_
_publ_author_name
'Srinivasan, R.'
'Tragl, S.'
'Glaser, J.'
'Meyer, H.J.'
_publ_section_title
;
 Lb Cl (C N)2 with Ln = La, Ge, and Pr: Synthesis and structure of a new
 lanthanide chloride cyanamide related to the Pb F Cl-type structure
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              479
_journal_page_last               483
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'C Cl La N2'
_chemical_name_systematic        'La Cl (C N2)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.75
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3304
_cell_length_b                   4.0305
_cell_length_c                   7.5445
_cell_volume                     159.243
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Srinivasan_ZAACAB_2005_1518.cif
_cod_data_source_block           C1Cl1La1N2
_cod_original_cell_volume        159.2428
_cod_original_formula_sum        'C1 Cl1 La1 N2'
_cod_database_code               1535109
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
La1 La+3 0.82426 0.25 0.26333 1 0.0
C1 C+4 0.6521 -0.75 -0.3588 1 0.0
N2 N-3 0.5671 -0.25 0.3405 1 0.0
Cl1 Cl-1 0.74424 -0.25 -0.04347 1 0.0
N1 N-3 1.1213 -0.25 0.3814 1 0.0
