#------------------------------------------------------------------------------
#$Date: 2016-01-09 13:39:12 +0100 (Sat, 09 Jan 2016) $
#$Revision: 174137 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/21/1542124.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_1542124
loop_
_publ_author_name
'Hohnstedt, C.'
'Meyer, G.'
_publ_section_title
;
 Metallothermische Reduktion des Tribromids und -iodids von Neodym mit
 Alkalimatallen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1379
_journal_page_last               1383
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'I5 K1.59 Nd1.41'
_chemical_name_systematic        '(K1.59 Nd.41) Nd I5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.265
_cell_length_b                   9.869
_cell_length_c                   9.043
_cell_volume                     1273.085
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hohnstedt_ZAACAB_1993_1554.cif
_cod_data_source_block           I5K1.59Nd1.41
_cod_database_code               1542124
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
Nd2 Nd+2 0.50647 0.25 0.0793 1 0.0
I1 I-1 -0.00399 0.75 0.9446 1 0.0
K1 K+1 0.6749 0.4982 0.5441 0.7966 0.0
Nd1 Nd+2 0.6749 0.4982 0.5441 0.2034 0.0
I3 I-1 0.68424 0.25 0.8581 1 0.0
I4 I-1 0.58285 0.54445 0.1702 1 0.0
I2 I-1 0.78639 0.25 0.3267 1 0.0
