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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/1/53/70/1537090.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_1537090
loop_
_publ_author_name
'Kruegermann, I.'
'Wickleder, M.S.'
_publ_section_title
;
 Synthesis and crystal structures of Er2 (Se O3)3 and Dy3 (Se O3)4 F
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              113
_journal_page_last               118
_journal_volume                  167
_journal_year                    2002
_chemical_formula_sum            'Dy3 F O12 Se4'
_chemical_name_systematic        'Dy3 (Se O3)4 F'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.3596
_cell_length_b                   10.3596
_cell_length_c                   6.8647
_cell_volume                     638.026
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Kruegermann_JSSCBI_2002_134.cif
_cod_data_source_block           Dy3F1O12Se4
_cod_original_cell_volume        638.0257
_cod_original_formula_sum        'Dy3 F1 O12 Se4'
_cod_database_code               1537090
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,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
Se2 Se+4 0.15449 0.30888 0.0842 1 0.0
O2 O-2 0.4191 0.5809 0.6422 1 0.0
F1 F-1 0.3333 0.6667 0.2713 1 0.0
Se1 Se+4 0.3333 0.6667 0.7531 1 0.0
Dy1 Dy+3 0.07482 0.53741 0.31813 1 0.0
O3 O-2 0.3347 0.4168 0.0132 1 0.0
O1 O-2 0.1814 0.3628 0.3217 1 0.0
