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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/04/9000456.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_9000456
loop_
_publ_author_name
'Phillips, M. W.'
'Kroll, H.'
'Pentinghaus, H.'
'Ribbe, P. H.'
_publ_section_title
;
 The structures of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8
;
_journal_name_full               'American Mineralogist'
_journal_page_first              659
_journal_page_last               666
_journal_volume                  60
_journal_year                    1975
_chemical_formula_structural     'Sr Ga2 (Si2 O8)'
_chemical_formula_sum            'Ga2.003 O8 Si1.997 Sr'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.682
_cell_angle_gamma                90
_cell_length_a                   9.0009
_cell_length_b                   9.484
_cell_length_c                   8.3987
_cell_formula_units_Z            4
_cell_volume                     716.900
_database_code_amcsd             0000467
_exptl_crystal_density_diffrn    3.811
_cod_original_formula_sum        'Sr Ga2.003 Si1.997 O8'
_cod_database_code               9000456
_amcsd_formula_title             SrGa2Si2O8
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr 0.88930 0.41310 0.25150 1.00000
Ga1 0.22840 0.92570 0.93020 0.99600
Si1 0.22840 0.92570 0.93020 0.00400
Si2 0.24340 0.91850 0.55960 0.98400
Ga2 0.24340 0.91850 0.55960 0.01600
Si3 0.06110 0.20170 0.94630 1.00000
Ga4 0.05300 0.19100 0.57320 0.99100
Si4 0.05300 0.19100 0.57320 0.00900
O1 0.19300 0.09800 0.01500 1.00000
O2 0.18990 0.06920 0.48940 1.00000
O3 0.11880 0.36510 0.93970 1.00000
O4 0.12300 0.37180 0.55940 1.00000
O5 0.92680 0.19610 0.07340 1.00000
O6 0.89300 0.19410 0.43650 1.00000
O7 0.00160 0.14490 0.77420 1.00000
O8 0.31840 0.92560 0.73670 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000467
