#------------------------------------------------------------------------------
#$Date: 2015-07-13 19:50:29 +0200 (Mon, 13 Jul 2015) $
#$Revision: 150549 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/4/34/38/4343818.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_4343818
loop_
_publ_author_name
'Burns, J.H.'
_publ_section_title
;
 Crystal structure of hexagonal sodium neodynium fluoride and related
 compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              881
_journal_page_last               886
_journal_volume                  4
_journal_year                    1965
_chemical_formula_sum            'F6 Na1.5 Nd1.5'
_chemical_name_systematic        '(Na Nd F4)1.5'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.1
_cell_length_b                   6.1
_cell_length_c                   3.711
_cell_volume                     119.586
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Burns_INOCAJ_1965_1777.cif
_cod_data_source_block           F6Na1.5Nd1.5
_cod_original_cell_volume        119.5863
_cod_database_code               4343818
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-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
Na1 Na+1 0.6667 0.3333 0.5 0.5 0.0
Nd1 Nd+3 0 0 0 1 0.0
F1 F-1 0.6337 0.0429 0 1 0.0
Na2 Na+1 0.3333 0.6667 0.656 0.5 0.0
Nd2 Nd+3 0.6667 0.3333 0.5 0.5 0.0
F2 F-1 0.7339 0.7549 0.5 1 0.0
