#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/04/9000433.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_9000433
loop_
_publ_author_name
'Chiari, G.'
'Calleri, M.'
'Bruno, E.'
'Ribbe, P. H.'
_publ_section_title
;
 The structure of partially disordered, synthetic strontium feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              111
_journal_page_last               119
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Al2 O8 Si2 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                 115.2
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.388
_cell_length_b                   12.974
_cell_length_c                   14.264
_cell_volume                     1404.557
_database_code_amcsd             0000444
_exptl_crystal_density_diffrn    3.081
_cod_original_formula_sum        'Sr (Si2 Al2) O8'
_cod_database_code               9000433
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_type_symbol
_atom_site_attached_hydrogens
Sr 0.26900 -0.00200 0.06560 1.00000 Sr 0
SiT1(o) 0.00660 0.17460 0.10830 0.90000 Si 0
AlT1(o) 0.00660 0.17460 0.10830 0.10000 Al 0
SiT1(z) 0.00320 0.17750 0.61640 0.10000 Si 0
AlT1(z) 0.00320 0.17750 0.61640 0.90000 Al 0
SiT2(o) 0.69340 0.12000 0.17060 0.10000 Si 0
AlT2(o) 0.69340 0.12000 0.17060 0.90000 Al 0
SiT2(z) 0.68450 0.11370 0.67160 0.90000 Si 0
AlT2(z) 0.68450 0.11370 0.67160 0.10000 Al 0
OA(1) 0.00450 0.12890 0.00030 1.00000 O 0
OA(2) 0.59110 0.00020 0.14270 1.00000 O 0
OB(o) 0.82670 0.12660 0.10540 1.00000 O 0
OB(z) 0.81040 0.12630 0.61130 1.00000 O 0
OC(o) 0.01320 0.29840 0.11860 1.00000 O 0
OC(z) 0.01880 0.30900 0.63040 1.00000 O 0
OD(o) 0.18760 0.12450 0.19550 1.00000 O 0
OD(z) 0.19600 0.11900 0.70270 1.00000 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
;
2023-05-23T09:13:51+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 0000444
