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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/1/53/65/1536546.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_1536546
loop_
_publ_author_name
'Wickleder, C.'
'Hartenbach, I.'
'Lauxmann, P.'
'Schleid, T.'
_publ_section_title
;
 Eu4 F (Si O4)3 und Yb5 S (Si O4)3: gemischtvalente Lanthanoid - Silicate
 mit Apatit-Struktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1602
_journal_page_last               1606
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'O12 S Si3 Yb5'
_chemical_name_systematic        'Yb5 S (Si O4)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.7236
_cell_length_b                   9.7236
_cell_length_c                   6.4849
_cell_volume                     530.992
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wickleder_ZAACAB_2002_785.cif
_cod_data_source_block           O12S1Si3Yb5
_cod_original_cell_volume        530.9922
_cod_original_formula_sum        'O12 S1 Si3 Yb5'
_cod_database_code               1536546
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
-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
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
Yb2 Yb+3 0.25489 0.02696 0.25 1 0.0
Si1 Si+4 0.4175 0.388 0.25 1 0.0
O1 O-2 0.367 0.523 0.25 1 0.0
Yb1 Yb+2 0.3333 0.6667 0.0049 1 0.0
O3 O-2 0.362 0.272 0.047 1 0.0
S1 S-2 0 0 0.5 1 0.0
O2 O-2 0.617 0.474 0.25 1 0.0
