#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/50/1535063.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_1535063
loop_
_publ_author_name
'Hartenbach, I.'
'Schleid, T.'
_publ_section_title
;
 Gd(4.667) S (Si O4)3: Ein Gadoliniumsulfid-ortho-silicat im
 Bromapatit-Typ
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1727
_journal_page_last               1727
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Gd4.667 O12 S Si3'
_chemical_name_systematic        'Gd4.667 S (Si3 O12)'
_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                   9.6986
_cell_length_b                   9.6986
_cell_length_c                   6.6957
_cell_volume                     545.437
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hartenbach_ZAACAB_2004_1405.cif
_cod_data_source_block           Gd4.667O12S1Si3
_cod_original_cell_volume        545.4371
_cod_original_formula_sum        'Gd4.667 O12 S1 Si3'
_cod_database_code               1535063
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
Gd2 Gd+3 0.24978 0.00663 0.25 1 0.0
S1 S-2 0 0 0 1 0.0
Gd1 Gd+3 0.3333 0.6667 0.00352 0.843 0.0
O3 O-2 0.3603 0.2636 0.0558 1 0.0
Si1 Si+4 0.4098 0.3799 0.25 1 0.0
O2 O-2 0.602 0.4772 0.25 1 0.0
O1 O-2 0.3565 0.5118 0.25 1 0.0
