#------------------------------------------------------------------------------
#$Date: 2015-09-04 18:17:47 +0300 (Fri, 04 Sep 2015) $
#$Revision: 154113 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529636.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_1529636
loop_
_publ_author_name
'Bianchi, R.'
'Gramaccioli, C.M.'
'Diella, V.'
'Pilati, T.'
'Mannucci, G.'
_publ_section_title
;
 A re-examination of thortveitite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              601
_journal_page_last               607
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al0.05 O7 Sc1.4 Si1.96 Y0.6'
_chemical_name_systematic        '(Sc1.4 Y.6) (Si1.96 Al.05 O7)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.65
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.587
_cell_length_b                   8.547
_cell_length_c                   4.695
_cell_volume                     257.908
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bianchi_JSSCBI_1988_1637.cif
_cod_data_source_block           Al0.05O7Sc1.4Si1.96Y0.6
_cod_database_code               1529636
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O3 O-2 0.23544 0.15622 -0.28405 1 0.0
Y1 Y+3 0 0.3067 0.5 0.3 0.0
Sc1 Sc+3 0 0.3067 0.5 0.7 0.0
Si1 Si+4 0.22179 0 -0.08941 0.98 0.0
O1 O-2 0 0 0 1 0.0
O2 O-2 0.38887 0 0.22133 1 0.0
Al1 Al+3 0.22179 0 -0.08941 0.02 0.0
