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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/15/9001565.cif $
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#
# 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_9001565
loop_
_publ_author_name
'Armbruster, T.'
'Oberhansli, R.'
'Kunz, M.'
_publ_section_title
;
 Taikanite, BaSr2Mn2O2[Si4O12], from the Wessels mine, South Africa: A chain
 silicate related to synthetic Ca3Mn2O2[Si4O12]
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1088
_journal_page_last               1095
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Ba Mn2 O14 Si4 Sr2'
_chemical_name_mineral           Taikanite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.25
_cell_angle_gamma                90
_cell_length_a                   14.600
_cell_length_b                   7.759
_cell_length_c                   5.142
_cell_volume                     581.556
_exptl_crystal_density_diffrn    4.333
_cod_original_formula_sum        'Ba Sr2 Mn2 Si4 O14'
_cod_database_code               9001565
loop_
_symmetry_equiv_pos_as_xyz
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
Ba 0.00000 0.22180 0.00000 0.00912
Sr 0.20450 -0.10350 -0.01750 0.00659
Mn1 0.00000 -0.11100 0.50000 0.00570
Mn2 0.00000 -0.30500 0.00000 0.00633
Si1 0.13090 -0.42800 -0.53800 0.00633
Si2 -0.17360 0.19400 0.48700 0.00633
O1 -0.09700 -0.27700 -0.66500 0.01267
O2 -0.16400 0.39900 -0.63100 0.01267
O3 -0.09600 0.08400 0.36600 0.01013
O4 0.05900 -0.12600 0.18600 0.00507
O5 0.18100 0.19100 0.20600 0.00760
O6 0.06200 0.52000 0.22000 0.01140
O7 -0.27200 0.13900 -0.66700 0.00507