#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310531.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310531
loop_
_publ_author_name
'Brown, B.E.'
'Bailey, Y.W.'
_publ_section_title
;
 The structure of maximum microcline
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1391
_journal_page_last               1400
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_systematic        'K (Al Si3 O8)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.65
_cell_angle_beta                 115.83
_cell_angle_gamma                87.7
_cell_formula_units_Z            4
_cell_length_a                   8.56
_cell_length_b                   12.964
_cell_length_c                   7.215
_cell_volume                     720.071
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Brown_ACCRA9_1964_169.cif
_cod_data_source_block           Al1K1O8Si3
_cod_original_sg_symbol_H-M      'P -1 (a+b,a-b,-c)'
_cod_original_formula_sum        'Al1 K1 O8 Si3'
_cod_database_code               2310531
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
K1 K+1 0.2827 -0.007 0.1365 1 0.0
O7 O-2 0.1911 0.1229 0.4053 1 0.0
Al4 Al+3 0.7059 0.8856 0.3507 0.02 0.0
O4 O-2 0.8316 0.857 0.2416 1 0.0
Al2 Al+3 0.0097 0.8198 0.2327 0.03 0.0
Si2 Si+4 0.0097 0.8198 0.2327 0.97 0.0
O5 O-2 0.0352 0.3203 0.2514 1 0.0
O6 O-2 0.0366 0.6953 0.2689 1 0.0
Si4 Si+4 0.7059 0.8856 0.3507 0.98 0.0
Al1 Al+3 0.0104 0.1875 0.2169 0.94 0.0
Si3 Si+4 0.711 0.1202 0.3399 0.99 0.0
O2 O-2 0.6366 0.0058 0.2853 1 0.0
Al3 Al+3 0.711 0.1202 0.3399 0.01 0.0
Si1 Si+4 0.0104 0.1875 0.2169 0.06 0.0
O8 O-2 0.1753 0.8742 0.4127 1 0.0
O1 O-2 0.0007 0.1448 -0.017 1 0.0
O3 O-2 0.8202 0.1476 0.2205 1 0.0
