#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529623.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_1529623
loop_
_publ_author_name
'Belov, N.V.'
'Tarkhova, T.N.'
_publ_section_title
;
 The crystal structure of milarite
;
_journal_name_full
'Trudy Instituta Kristallografii, Akademiya Nauk SSSR'
_journal_page_first              83
_journal_page_last               140
_journal_volume                  6
_journal_year                    1951
_chemical_formula_sum            'Al Be2 Ca2 K O30 Si12'
_chemical_name_systematic        'K Ca2 (Be2 Al) (Si12 O30)'
_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            2
_cell_length_a                   10.43
_cell_length_b                   10.43
_cell_length_c                   13.85
_cell_volume                     1304.815
_citation_journal_id_ASTM        TIKRAS
_cod_data_source_file            Belov_TIKRAS_1951_1885.cif
_cod_data_source_block           Al1Be2Ca2K1O30Si12
_cod_original_formula_sum        'Al1 Be2 Ca2 K1 O30 Si12'
_cod_database_code               1529623
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
Be1 Be+2 0 0.5 0.25 0.667 0.0
K1 K+1 0 0 0.25 1 0.0
Ca1 Ca+2 0.3333 0.6667 0.25 1 0.0
O3 O-2 0.11 0.47 0.18 1 0.0
O2 O-2 0.2 0.28 0.14 1 0.0
Si1 Si+4 0.083 0.3333 0.115 1 0.0
O1 O-2 0.09 0.35 0 1 0.0
Al1 Al+3 0 0.5 0.25 0.333 0.0
