#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/08/1540842.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_1540842
loop_
_publ_author_name
'Weiss, Z.'
'Rieder, M.'
'Smrcok, L.'
'Petricek, V.'
'Bailey, S.W.'
_publ_section_title
;
 Refinement of the crystal structure of two "protolithionites"
;
_journal_name_full               'European Journal of Mineralogy (1,1989-)'
_journal_page_first              493
_journal_page_last               502
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Al2.13 F Fe1.92 H K0.99 O11 Si2.71'
_chemical_name_systematic
'K.99 (Fe1.92 Al1.08) (Al1.05 Si2.71 O10) (O H F)'
_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                 100.47
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3655
_cell_length_b                   9.293
_cell_length_c                   10.198
_cell_volume                     500.022
_citation_journal_id_ASTM        EJMIER
_cod_data_source_file            Weiss_EJMIER_1993_1673.cif
_cod_data_source_block           H1Al2.13F1Fe1.92K0.99O11Si2.71
_cod_original_cell_volume        500.0223
_cod_original_formula_sum        'H1 Al2.13 F1 Fe1.92 K0.99 O11 Si2.71'
_cod_database_code               1540842
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
Fe1 Fe+2 0 0 0.5 0.656 0.0
F1 F-1 0.1245 0.5 0.3929 0.5 0.0
Al2 Al+3 0 0.3307 0.5 0.368 0.0
O1 O-2 0.0487 0 0.1676 1 0.0
O2 O-2 0.3085 0.2466 0.1671 1 0.0
O3 O-2 0.1321 0.1668 0.3905 1 0.0
Si1 Si+4 0.0755 0.1666 0.2253 0.6775 0.0
O4 O-2 0.1245 0.5 0.3929 0.5 0.0
Fe2 Fe+2 0 0.3307 0.5 0.632 0.0
Al3 Al+3 0.0755 0.1666 0.2253 0.2635 0.0
Al1 Al+3 0 0 0.5 0.344 0.0
K1 K+1 0 0.5 0 0.988 0.0
