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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/41/1524105.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_1524105
loop_
_publ_author_name
'Brown, B.E.'
_publ_section_title
;
 The crystal structure of a 3 T lepidolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              332
_journal_page_last               336
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum
'Al4.98 F4.5 H1.5 K3 Li5.19 Mn0.165 O31.5 Si10.5'
_chemical_name_systematic
;
(K2 (Al2.32 Mn0.11 Li3.46) (Al Si7 O20) F3 (O H))1.5
;
_space_group_IT_number           151
_symmetry_space_group_name_Hall  'P 31 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.2
_cell_length_b                   5.2
_cell_length_c                   29.76
_cell_volume                     696.900
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Brown_AMMIAY_1978_418.cif
_cod_data_source_block           H1.5Al4.98F4.5K3Li5.19Mn0.165O31.5Si10.5
_cod_original_cell_volume        696.8996
_cod_original_sg_symbol_Hall     'P 31 2 (x,y,z+1/3)'
_cod_original_formula_sum
'H1.5 Al4.98 F4.5 K3 Li5.19 Mn0.165 O31.5 Si10.5'
_cod_database_code               1524105
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
-y,-x,-z+2/3
x,x-y,-z
-x+y,y,-z+1/3
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
O2 O-2 0.446 0.571 -0.0356 1 0.0
O5 O-2 0.12 0.426 -0.1076 1 0.0
Li2 Li+1 0.779 0.221 0.3333 0.89 0.0
Li3 Li+1 0.121 0.879 0.3333 0.14 0.0
K1 K+1 0.1111 0.8889 0.8333 1 0.0
O1 O-2 0.777 0.172 -0.0349 1 0.0
Si2 Si+4 0.4572 0.5555 -0.0903 1 0.0
Al1 Al+3 0.421 0.579 0.3333 0.3 0.0
O4 O-2 0.654 0.874 -0.1116 1 0.0
Li1 Li+1 0.421 0.579 0.3333 0.7 0.0
O6 O-2 0.583 0.35 -0.1121 0.25 0.0
Al2 Al+3 0.121 0.879 0.3333 0.86 0.0
F1 F-1 0.583 0.35 -0.1121 0.75 0.0
Si1 Si+4 0.7867 0.2127 -0.089 0.75 0.0
Mn1 Mn+5 0.779 0.221 0.3333 0.055 0.0
Al3 Al+3 0.7867 0.2127 -0.089 0.25 0.0
O3 O-2 0.09 0.864 -0.0333 1 0.0
