#------------------------------------------------------------------------------
#$Date: 2015-07-10 13:43:51 +0200 (vie 10 de jul de 2015) $
#$Revision: 142136 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/19/1521919.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_1521919
loop_
_publ_author_name
'Sherriff, B.L.'
'Sokolova, E.V.'
'Kabalov, Yu.K.'
'Schneider, J.'
'Jenkins, D.M.'
'Kunath-Fandrei, G.'
'Goetz, S.'
'Jaeger, C.'
_publ_section_title
;
 Meionite: Rietveld structure-refinement, (29)Si MAS and (27)Al SATRAS NMR
 spectroscopy, and comments on the marialite-meionite series
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              1201
_journal_page_last               1213
_journal_volume                  38
_journal_year                    2000
_chemical_formula_sum            'Al6 Ca4 O24 Si6'
_chemical_name_systematic        'Ca4 (Al6 Si6 O24) (C O3)'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.2119
_cell_length_b                   12.2119
_cell_length_c                   7.5811
_cell_volume                     1130.573
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Sherriff_CAMIA6_2000_969.cif
_cod_data_source_block           Al6Ca4O24Si6
_cod_database_code               1521919
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
Si2 Si+4 0.6595 0.9136 0.7925 0.375 0.0
Al2 Al+3 0.6595 0.9136 0.7925 0.625 0.0
O4 O-2 0.263 0.363 0.827 1 0.0
O2 O-2 0.689 0.874 0 1 0.0
O3 O-2 0.351 0.948 0.794 1 0.0
Ca1 Ca+2 0.3556 0.2798 0.5 1 0.0
Si1 Si+4 0.341 0.407 0 0.75 0.0
O1 O-2 0.461 0.35 0 1 0.0
Al1 Al+3 0.341 0.407 0 0.25 0.0
