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#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9010289.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_9010289
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 = 6.2 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1190
_journal_page_last               1199
_journal_volume                  92
_journal_year                    2007
_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                 114.98
_cell_angle_gamma                90
_cell_length_a                   8.128
_cell_length_b                   12.671
_cell_length_c                   13.866
_cell_volume                     1294.470
_diffrn_ambient_pressure         6.2e+06
_[local]_cod_data_source_file    04408.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig '(Ca.2 Sr.8) Si2 Al2 O8'
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 0.26540 0.00090 0.06850 0.20000 0.04300
Sr 0.26540 0.00090 0.06850 0.80000 0.04300
Si10 0.99550 0.17730 0.10700 1.00000 0.04400
Al1z 0.99330 0.17550 0.61760 1.00000 0.04300
Al20 0.68440 0.12430 0.17070 1.00000 0.04100
Si2z 0.67480 0.11310 0.67200 1.00000 0.04400
OA1 0.00270 0.12930 0.99810 1.00000 0.03400
OA2 0.58120 0.00330 0.14820 1.00000 0.05500
OB0 0.81860 0.11800 0.10450 1.00000 0.06000
OBz 0.79400 0.11710 0.60480 1.00000 0.05400
OC0 0.98840 0.30340 0.11410 1.00000 0.05400
OCz 0.99550 0.31150 0.62670 1.00000 0.05500
OD0 0.18320 0.12490 0.19430 1.00000 0.05400
ODz 0.19150 0.11710 0.70200 1.00000 0.05600