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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103957.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_8103957
loop_
_publ_author_name
'Hesse, K.F.'
'Merlino, S.'
'Liebau, F.'
_publ_section_title
;
 Crystal structure of rhodesite, H K1-x Nax+2y Ca2-y (lB,3,2 2)(Si8 O19)
 *(6-z)H2O, from three localities and its relation to other silicates with
 dreier double layers
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              25
_journal_page_last               48
_journal_volume                  199
_journal_year                    1992
_chemical_formula_sum            'Ca2 H11 K O24 Si8'
_chemical_name_systematic        'H K Ca2 Si8 O19 (H2 O)5'
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2 2a'
_symmetry_space_group_name_H-M   'P m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   23.4439
_cell_length_b                   6.553
_cell_length_c                   7.055
_cell_volume                     1083.845
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Hesse_ZEKRDZ_1992_34.cif
_cod_data_source_block           H11Ca2K1O24Si8
_cod_original_sg_symbol_Hall     '-P 2a 2a (-x,z,y)'
_cod_original_formula_sum        'H11 Ca2 K1 O24 Si8'
_cod_database_code               8103957
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z
x+1/2,-y,-z
-x,-y,z
-x,-y,-z
x-1/2,-y,z
-x-1/2,y,z
x,y,-z
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
Ca2 Ca+2 0 0.5 0.5 1 0.0
O2 O-2 0.1718 0.4077 0.3114 1 0.0
O5 O-2 0.1465 0.7418 0.5 1 0.0
O4 O-2 0.1345 0.2573 0 1 0.0
K1 K+1 0.25 0.446 0 1 0.0
Si1 Si+4 0.1168 0.2891 0.22 1 0.0
O8 O-2 0.039 0.8399 0 1 0.0
Ca1 Ca+2 0 0.5 0 1 0.0
Si3 Si+4 0.1022 0.9303 0.5 1 0.0
O1 O-2 0.0592 0.4076 0.2476 1 0.0
O6 O-2 0.0378 0.8543 0.5 1 0.0
Si2 Si+4 0.1836 0.5427 0.5 1 0.0
O7 O-2 0.25 0.6081 0.5 1 0.0
O10 O-2 0.25 0.0247 0.1895 0.5 0.0
O9 O-2 0.3312 0.7801 0 1 0.0
O3 O-2 0.1164 0.0629 0.3144 1 0.0
