#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/16/1521637.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_1521637
loop_
_publ_author_name
'Mueller-Bunz, H.'
'Schleid, T.'
_publ_section_title
;
 Ueber die Oxidsilicate M2 O (Si O4) der schweren Lanthanoide (M = Dy -
 Lu) im A-Typ
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              613
_journal_page_last               618
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'O5 Si Tm2'
_chemical_name_systematic        'Tm2 O (Si O4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.436
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0017
_cell_length_b                   6.7874
_cell_length_c                   6.6271
_cell_volume                     390.298
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller-Bunz_ZAACAB_1999_891.cif
_cod_data_source_block           O5Si1Tm2
_cod_original_cell_volume        390.2979
_cod_original_formula_sum        'O5 Si1 Tm2'
_cod_database_code               1521637
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
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
Tm2 Tm+3 0.52659 0.62548 0.23219 1 0.0
Tm1 Tm+3 0.1274 0.13772 0.44626 1 0.0
O5 O-2 0.3899 0.3816 0.0649 1 0.0
O1 O-2 0.2106 0.4281 0.6682 1 0.0
O2 O-2 0.1268 0.4498 0.2806 1 0.0
Si1 Si+4 0.1995 0.5893 0.4756 1 0.0
O4 O-2 0.1036 0.786 0.4854 1 0.0
O3 O-2 0.3845 0.6374 0.5089 1 0.0
