#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/41/9004191.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9004191
loop_
_publ_author_name
'Blasi, A.'
'De Pol Blasi, C.'
'Zanazzi, P. F.'
_publ_section_title
;
 A re-examination of the Pellotsalo microcline: Mineralogical implications and
 genetic considerations
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              527
_journal_page_last               537
_journal_volume                  25
_journal_year                    1987
_chemical_formula_sum            'Al K0.95 Na0.05 O8 Si3'
_chemical_name_mineral           Microcline
_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                90.6
_cell_angle_beta                 115.9
_cell_angle_gamma                87.7
_cell_length_a                   8.5714
_cell_length_b                   12.9646
_cell_length_c                   7.2217
_cell_volume                     721.300
_exptl_crystal_density_diffrn    2.556
_[local]_cod_chemical_formula_sum_orig '(K.95 Na.05) Al Si3 O8'
_cod_database_code               9004191
_amcsd_database_code             AMCSD#0005176
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.01450 0.02280 0.02360 0.00050 0.00700 0.00000
Na 0.01450 0.02280 0.02360 0.00050 0.00700 0.00000
Al 0.00920 0.00770 0.00770 -0.00190 0.00400 0.00080
Si1 0.00920 0.00780 0.00660 0.00070 0.00450 0.00070
Si2 0.00840 0.00560 0.00830 -0.00110 0.00420 0.00080
Si3 0.00770 0.00660 0.00860 -0.00020 0.00400 0.00090
O1 0.01800 0.01340 0.00850 -0.00080 0.00700 0.00220
O2 0.01060 0.00580 0.01310 0.00060 0.00360 0.00080
O3 0.01390 0.01900 0.01870 -0.00480 0.01050 0.00020
O4 0.01470 0.02030 0.01790 0.00450 0.01100 0.00170
O5 0.01100 0.01050 0.01450 -0.00340 0.00510 0.00000
O6 0.01220 0.00980 0.01400 0.00180 0.00790 0.00230
O7 0.01620 0.01340 0.00930 0.00190 0.00320 0.00310
O8 0.01570 0.01570 0.00930 -0.00470 0.00150 0.00080
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K 0.28260 0.99280 0.13670 0.95000
Na 0.28260 0.99280 0.13670 0.05000
Al 0.01000 0.18770 0.21700 1.00000
Si1 0.00980 0.81960 0.23230 1.00000
Si2 0.71110 0.12040 0.34010 1.00000
Si3 0.70570 0.88560 0.35050 1.00000
O1 0.00070 0.14480 0.98290 1.00000
O2 0.63650 0.00550 0.28570 1.00000
O3 0.82120 0.14770 0.21990 1.00000
O4 0.83190 0.85730 0.24010 1.00000
O5 0.03530 0.32000 0.25110 1.00000
O6 0.03810 0.69550 0.27020 1.00000
O7 0.19030 0.12290 0.40550 1.00000
O8 0.17540 0.87450 0.41180 1.00000