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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/02/9010288.cif $
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#
# 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_9010288
loop_
_publ_author_name
'Benna, P.'
'Nestola, F.'
'Ballaran, T. B.'
'Balic-Zunic T'
'Lundegaard, L. F.'
'Bruno, E.'
_publ_section_title
;
 The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
 The I-1-I2/c and I2/c-P2_1/c phase transitions
 Sample: P = 4.4 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1190
_journal_page_last               1199
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     Ca.2Sr.8Al2Si2O8
_chemical_formula_sum            'Al2 Ca0.2 O8 Si2 Sr0.8'
_chemical_name_mineral           Ca.2Sr.8Al2Si2O8
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.27
_cell_angle_gamma                90
_cell_length_a                   8.209
_cell_length_b                   12.780
_cell_length_c                   14.009
_cell_volume                     1329.057
_diffrn_ambient_pressure         4.4e+06
_exptl_crystal_density_diffrn    3.161
_[local]_cod_chemical_formula_sum_orig '(Ca.2 Sr.8) Si2 Al2 O8'
_cod_database_code               9010288
_amcsd_database_code             AMCSD#0004408
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,1/2+z
1/2+x,1/2-y,+z
-x,y,1/2-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca 0.26720 -0.00050 0.06710 0.20000 0.02900
Sr 0.26720 -0.00050 0.06710 0.80000 0.02900
Si10 0.99930 0.17430 0.10710 1.00000 0.03700
Al1z 0.99640 0.17850 0.61690 1.00000 0.03300
Al20 0.68700 0.11980 0.17030 1.00000 0.03500
Si2z 0.67940 0.11250 0.67210 1.00000 0.03600
OA1 0.00190 0.12670 0.99780 1.00000 0.03800
OA2 0.58570 0.99500 0.14730 1.00000 0.04600
OB0 0.81850 0.12050 0.10250 1.00000 0.04200
OBz 0.79760 0.12550 0.60750 1.00000 0.04400
OC0 0.00120 0.30040 0.11770 1.00000 0.04700
OCz 0.00510 0.31350 0.63110 1.00000 0.05600
OD0 0.18640 0.12480 0.19750 1.00000 0.04700
ODz 0.19320 0.12070 0.70520 1.00000 0.04800