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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/58/1535805.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_1535805
loop_
_publ_author_name
'Tyagi, A.K.'
'Koehler, J.'
_publ_section_title
;
 Preparation and structural elucidation of the new anion-excess fluorite
 variant Ba4 Er3 F17
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              689
_journal_page_last               695
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Ba4 Er3 F17'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   11.059
_cell_length_b                   11.059
_cell_length_c                   20.346
_cell_volume                     2154.971
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Tyagi_SSSCFJ_2001_139.cif
_cod_data_source_block           Ba4Er3F17
_cod_database_code               1535805
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
F4 F-1 0.2077 0.5043 0.05113 1 0.0
F2 F-1 0.4305 0.3006 0.11645 1 0.0
F8 F-1 0.06 0.996 0.4971 0.1667 0.0
F1 F-1 0.0419 0.7777 0.04363 1 0.0
Ba2 Ba+2 0.22847 0.02963 0.08505 1 0.0
F5 F-1 0.2404 0.3685 0.16852 1 0.0
F6 F-1 0 0 0.13924 1 0.0
F3 F-1 0.4754 0.0772 0.03583 1 0.0
Ba1 Ba+2 0 0 0.2666 1 0.0
Er1 Er+3 0.08653 0.61306 0.08206 1 0.0
F7 F-1 0 0 0 1 0.0
