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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/14/1531438.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_1531438
loop_
_publ_author_name
'Grzechnik, A.'
'Syassen, K.'
'Hanfland, M.'
'Loa, I.'
'Gesland, J.Y.'
_publ_section_title
;
 Scheelite to fergusonite phase transition in Y Li F4 at high pressures
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              104102-1
_journal_page_last               104102-6
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'F4 Li Y'
_chemical_name_systematic        'Y Li F4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.279
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0416
_cell_length_b                   10.4174
_cell_length_c                   4.7808
_cell_volume                     250.024
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Grzechnik_PRBMDO_2002_1740.cif
_cod_data_source_block           F4Li1Y1
_cod_original_cell_volume        250.0244
_cod_original_sg_symbol_Hall     '-C 2yc (x+z,y,-x)'
_cod_original_formula_sum        'F4 Li1 Y1'
_cod_database_code               1531438
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z
-x,-y,-z
x-1/2,-y,z
x+1/2,y+1/2,z+1/2
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x,-y+1/2,z+1/2
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
Y1 Y+3 0.25 0.879 0 1 0.0
Li1 Li+1 0.25 0.362 0 1 0.0
F2 F-1 0.937 0.2962 0.136 1 0.0
F1 F-1 0.43 0.0317 0.756 1 0.0
