#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/44/4344494.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_4344494
loop_
_publ_author_name
'Meyer, H.J.'
'Jones, N.L.'
'Corbett, J.D.'
_publ_section_title
;
 A new yttrium sesquichloride nitride, beta - Y2 Cl3 N, that is
 isostructural with the binary yttrium sesquichloride
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2635
_journal_page_last               2637
_journal_volume                  28
_journal_year                    1989
_chemical_formula_sum            'Cl3 N Y2'
_chemical_name_systematic        'Y2 Cl3 N'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.38
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.238
_cell_length_b                   3.8535
_cell_length_c                   10.156
_cell_volume                     524.683
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Meyer_INOCAJ_1989_994.cif
_cod_data_source_block           Cl3N1Y2
_cod_original_cell_volume        524.6832
_cod_original_formula_sum        'Cl3 N1 Y2'
_cod_database_code               4344494
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
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
Cl2 Cl-1 0.7705 0 0.884 1 0.0
Cl3 Cl-1 0.9491 0 0.2648 1 0.0
Cl1 Cl-1 0.6613 0 0.5132 1 0.0
Y2 Y+2 0.13593 0 0.29197 1 0.0
N1 N-1 0.579 0 0.1639 1 0.0
Y1 Y+2 0.41182 0 0.04978 1 0.0
