#------------------------------------------------------------------------------
#$Date: 2014-01-09 15:51:58 +0200 (Thu, 09 Jan 2014) $
#$Revision: 91992 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/98/9009840.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_9009840
loop_
_publ_author_name
'Ruedinger B'
'Tillmanns E'
'Hentschel G'
_publ_section_title
;
 Bellbergite - a new mineral with the zeolite structure type EAB
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              147
_journal_page_last               152
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Al9 Ca3 H36 K O51 Si9 Sr'
_chemical_name_mineral           Bellbergite
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.224
_cell_length_b                   13.224
_cell_length_c                   15.988
_cell_volume                     2421.310
_[local]_cod_chemical_formula_sum_orig 'K Sr Ca3 (Al9 Si9) O51 H36'
_cod_database_code               9009840
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
K K 0.10500 0.21000 0.25000 0.33333 0.06333 0
Sr Sr 0.33333 0.66667 0.91190 0.50000 0.03040 0
Ca Ca1 0.00000 0.00000 0.00000 1.00000 0.00633 0
Ca Ca2 0.33333 0.66667 0.13000 1.00000 0.08739 0
Al Al1 0.42150 0.33130 0.15380 0.50000 0.01381 0
Si Si1 0.42150 0.33130 0.15380 0.50000 0.01381 0
Al Al2 0.24760 0.00000 0.00000 0.50000 0.00456 0
Si Si2 0.24760 0.00000 0.00000 0.50000 0.00456 0
O O1 0.11270 0.22540 0.00300 1.00000 0.00633 0
O O2 0.68180 0.00000 0.91580 1.00000 0.01520 0
O O3 0.95800 0.32700 0.25000 1.00000 0.02660 0
O O4 0.22950 0.45900 0.86400 1.00000 0.02026 0
O O5 0.45900 0.91800 0.86200 1.00000 0.02280 0
O Wat1 0.33333 0.66667 0.75000 1.00000 0.06333 2
O Wat2 0.41300 0.82600 0.25000 1.00000 0.04433 2
O Wat3 0.58700 0.17400 0.96500 0.50000 0.03800 2
O Wat4 0.21800 0.43600 0.15900 1.00000 0.04559 2
O Wat5 0.00000 0.00000 0.64300 1.00000 0.01773 2