#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002564.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_9002564
loop_
_publ_author_name
'Benna, P.'
'Bruno, E.'
_publ_section_title
;
 Single-crystal in situ high-temperature structural investigation
 on strontium feldspar
 Sample T = 160 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              690
_journal_page_last               696
_journal_volume                  86
_journal_year                    2001
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al1.9 O8 Si2.1 Sr'
_chemical_name_mineral           Feldspar
_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                 115.43
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.392
_cell_length_b                   12.967
_cell_length_c                   14.260
_cell_volume                     1401.411
_database_code_amcsd             0002653
_diffrn_ambient_temperature      433.15
_exptl_crystal_density_diffrn    3.089
_cod_original_formula_sum        'Sr (Al1.9 Si2.1) O8'
_cod_database_code               9002564
loop_
_space_group_symop_operation_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
_atom_site_type_symbol
_atom_site_attached_hydrogens
Sr 0.27070 -0.00180 0.06570 1.00000 0.02500 Sr 0
AlT1(0) 0.00670 0.17530 0.10850 0.19000 0.01100 Al 0
SiT1(0) 0.00670 0.17530 0.10850 0.81000 0.01100 Si 0
AlT1(z) 0.00360 0.17810 0.61620 0.81000 0.01000 Al 0
SiT1(z) 0.00360 0.17810 0.61620 0.19000 0.01000 Si 0
AlT2(0) 0.69490 0.12040 0.17080 0.76000 0.01000 Al 0
SiT2(0) 0.69490 0.12040 0.17080 0.24000 0.01000 Si 0
AlT2(z) 0.68640 0.11340 0.67180 0.14000 0.01000 Al 0
SiT2(z) 0.68640 0.11340 0.67180 0.86000 0.01000 Si 0
OA(1) 0.00430 0.12960 0.00040 1.00000 0.01600 O 0
OA(2) 0.59370 -0.00020 0.14300 1.00000 0.01700 O 0
OB(0) 0.82800 0.12700 0.10680 1.00000 0.02200 O 0
OB(z) 0.81050 0.12760 0.61160 1.00000 0.02200 O 0
OC(0) 0.01380 0.29870 0.11870 1.00000 0.02100 O 0
OC(z) 0.01980 0.30960 0.63080 1.00000 0.02100 O 0
OD(0) 0.18620 0.12550 0.19640 1.00000 0.02400 O 0
OD(z) 0.19630 0.11910 0.70320 1.00000 0.02100 O 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9581 2023-05-17 12:35:41Z saulius
;
2023-05-23T09:15:41+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002653
