#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/76/1517672.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_1517672
loop_
_publ_author_name
'Grzechnik, A.'
'Bouvier, P.'
'Mezouar, M.'
'Mathews, M.D.'
'Tyagi, A.K.'
'Koehler, J.'
_publ_section_title
;
 Hexagonal Na(1.5) Y(1.5) F6 at high pressures
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              159
_journal_page_last               164
_journal_volume                  165
_journal_year                    2002
_chemical_formula_structural     'Na Y (Na0.5 Y0.5) F6'
_chemical_formula_sum            'F6 Na1.5 Y1.5'
_chemical_name_systematic
;
Sodium Yttrium Fluoride (1.5/1.5/6)
;
_space_group_IT_number           174
_symmetry_Int_Tables_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                   5.9148(1)
_cell_length_b                   5.9148(1)
_cell_length_c                   3.4960(1)
_cell_volume                     105.921(4)
_cod_data_source_file            Na1_5Y1_5F6_P_6_DC252.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        105.92
_cod_database_code               1517672
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x+y, -x, -z'
2 '-y, x-y, -z'
3 'x, y, -z'
4 '-x+y, -x, z'
5 '-y, x-y, z'
6 'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Y1 Y3+ 1 a 0.0 0.0 0.0 1. 0
Y2 Y3+ 1 f 0.6667 0.3333 0.5 0.5 0
Na1 Na1+ 1 f 0.6667 0.3333 0.5 0.5 0
Na2 Na1+ 2 h 0.3333 0.6667 0.689(5) 0.5 0
F1 F1- 3 j 0.646(1) 0.1256(8) 0.0 1. 0
F2 F1- 3 k 0.697(1) 0.722(1) 0.5 1. 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
F1- -1
Na1+ 1
Y3+ 3
