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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/1/53/95/1539547.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_1539547
loop_
_publ_author_name
'Szymanski, J.T.'
'Owens, D.R.'
'Chao, G.Y.'
'Roberts, A.C.'
'Ansell, H.G.'
_publ_section_title
;
 A mineralogical study and cristal-structure determination of nonmetamicht
 ekanite, Th Ca2 Si8 O20
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              65
_journal_page_last               75
_journal_volume                  20
_journal_year                    1982
_chemical_formula_sum            'Ca2 O20 Si8 Th'
_chemical_name_systematic        'Th Ca2 (Si8 O20)'
_space_group_IT_number           97
_symmetry_space_group_name_Hall  'I 4 2'
_symmetry_space_group_name_H-M   'I 4 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.483
_cell_length_b                   7.483
_cell_length_c                   14.893
_cell_volume                     833.938
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Szymanski_CAMIA6_1982_1191.cif
_cod_data_source_block           Ca2O20Si8Th1
_cod_original_cell_volume        833.9378
_cod_original_formula_sum        'Ca2 O20 Si8 Th1'
_cod_database_code               1539547
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+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
O1 O-2 0.7924 0.2924 0.25 1 0.0
Ca1 Ca+2 0.5 0 0 1 0.0
Th1 Th+4 0 0 0 1 0.0
Si1 Si+4 0.3335 0.254 0.1479 1 0.0
O3 O-2 0.2553 0.1075 0.0818 1 0.0
O2 O-2 0.2544 0.4521 0.1251 1 0.0
