#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530074.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_1530074
loop_
_publ_author_name
'Hawthorne, F.C.'
'Cerny, P.'
_publ_section_title
;
 The alkali-metal positions in Cs-Li beryl
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              414
_journal_page_last               421
_journal_volume                  15
_journal_year                    1977
_chemical_formula_sum            'Al4 Be5.22 Cs0.3 H2.64 Na0.66 O37.32 Si12'
_chemical_name_systematic
'Si12 Be5.22 Al4 O36 Na0.66 Cs0.30 (H2 O)1.32'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.212
_cell_length_b                   9.212
_cell_length_c                   9.236
_cell_volume                     678.770
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Hawthorne_CAMIA6_1977_195.cif
_cod_data_source_block           H2.64Al4Be5.22Cs0.3Na0.66O37.32Si12
_cod_original_cell_volume        678.7697
_cod_original_formula_sum        'H2.64 Al4 Be5.22 Cs0.3 Na0.66 O37.32 Si12'
_cod_database_code               1530074
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z+1/2
x-y,-y,-z+1/2
x,x-y,-z+1/2
y,x,-z+1/2
-x+y,y,-z+1/2
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z-1/2
-x+y,y,z-1/2
-x,-x+y,z-1/2
-y,-x,z-1/2
x-y,-y,z-1/2
x,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
O2 O-2 0.4983 0.1473 0.1445 1 0.0
O1 O-2 0.3048 0.2352 0 1 0.0
Cs1 Cs+1 0 0 0.25 0.15 0.0
Si1 Si+4 0.3892 0.1189 0 1 0.0
Al1 Al+3 0.66667 0.33333 0.25 1 0.0
Na1 Na+1 0 0 0 0.33 0.0
Be1 Be+2 0.5 0 0.25 0.87 0.0
O3 O-2 0 0 0.25 0.66 0.0
