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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/1/54/10/1541094.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_1541094
loop_
_publ_author_name
'Paulus, H.'
'Mueller, G.'
_publ_section_title
;
 The crystal structure of a hydrogen-felspar
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              481
_journal_page_last               490
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'Al Ba0.01 H0.89 K0.1 O8 Si3'
_chemical_name_systematic        'H.89 K.1 Ba.01 (Al Si3 O8)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.48
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.997
_cell_length_b                   13.131
_cell_length_c                   7.185
_cell_volume                     675.334
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Paulus_NJMMAW_1988_60.cif
_cod_data_source_block           H0.89Al1Ba0.01K0.1O8Si3
_cod_original_cell_volume        675.3336
_cod_original_formula_sum        'H0.89 Al1 Ba0.01 K0.1 O8 Si3'
_cod_database_code               1541094
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O4 O-2 0.0131 0.3035 0.256 1 0.0
Si1 Si+4 0.004 0.1783 0.221 0.5 0.0
O2 O-2 0.5981 0 0.2926 1 0.0
Al1 Al+3 0.004 0.1783 0.221 0.5 0.0
O3 O-2 0.8166 0.1361 0.2297 1 0.0
Ba1 Ba+2 0.2634 0 0.1298 0.013 0.0
Si2 Si+4 0.6855 0.1147 0.3422 1 0.0
K1 K+1 0.2634 0 0.1298 0.102 0.0
O5 O-2 0.1913 0.128 0.4072 1 0.0
O1 O-2 0 0.1488 0 1 0.0
