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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/55/9005564.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_9005564
loop_
_publ_author_name
'Miyajima, H.'
'Miyawaki, R.'
'Ito, K.'
_publ_section_title
;
 Matsubaraite, Sr4Ti5(Si2O7)2O8, a new mineral, the Sr-Ti analogue
 of perrierite in jadeitite from the Itoigawa-Ohmi district,
 Niigata Prefecture, Japan
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1119
_journal_page_last               1128
_journal_paper_doi               10.1127/0935-1221/2002/0014-1119
_journal_volume                  14
_journal_year                    2002
_chemical_compound_source
'Itoigawa-Ohmi district, Niigata Prefecture, Japan'
_chemical_formula_sum            'O22 Si4 Sr4 Ti5'
_chemical_name_mineral           Matsubaraite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.143
_cell_angle_gamma                90
_cell_length_a                   13.850
_cell_length_b                   5.631
_cell_length_c                   11.8920
_cell_formula_units_Z            2
_cell_volume                     846.323
_database_code_amcsd             0006952
_exptl_crystal_density_diffrn    4.137
_cod_original_formula_sum        'Sr4 Ti5 Si4 O22'
_cod_database_code               9005564
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sr1 0.76487 0.00000 0.73287 0.00758
Sr2 0.54607 0.50000 0.73841 0.00788
Ti1 0.00000 0.50000 0.50000 0.00488
Ti2 0.50000 0.74369 0.00000 0.00573
Ti3 0.27126 0.00000 0.00074 0.00616
Si1 0.40654 0.00000 0.73070 0.00450
Si2 0.84194 0.00000 0.45339 0.00520
O1 0.06287 0.26520 0.18240 0.00690
O2 0.29210 0.24910 0.11850 0.00640
O3 0.39456 0.26010 0.41890 0.00830
O4 0.09370 0.00000 0.99980 0.00760
O5 0.40460 0.00000 -0.00070 0.00760
O6 0.47090 0.00000 0.64420 0.00870
O7 0.27910 0.00000 0.65630 0.01000
O8 0.14780 0.00000 0.41090 0.01030
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006952
