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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/9/00/01/9000160.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_9000160
loop_
_publ_author_name
'Dent Glasser, L. S.'
'Glasser, F. P.'
_publ_section_title
;
 The crystal structure of walstromite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              9
_journal_page_last               13
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Ba Ca2 O9 Si3'
_chemical_name_mineral           Walstromite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.62
_cell_angle_beta                 102.33
_cell_angle_gamma                96.90
_cell_length_a                   6.733
_cell_length_b                   9.616
_cell_length_c                   6.723
_cell_volume                     398.121
_exptl_crystal_density_diffrn    3.718
_cod_original_formula_sum        'Ca2 Ba Si3 O9'
_cod_database_code               9000160
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 0.27200 0.50700 0.76300
Ca2 0.43500 0.83100 0.93500
Ba 0.04900 0.84800 0.32300
Si1 0.09600 0.22200 0.14500
Si2 0.23500 0.48400 0.28400
Si3 0.44200 0.19600 0.51100
O1 0.23600 0.25100 -0.02700
O2 -0.09800 0.11400 0.10200
O3 0.04200 0.36600 0.21200
O4 0.36600 0.55600 0.08900
O5 0.12500 0.58000 0.38900
O6 0.35200 0.36500 0.49400
O7 0.61300 0.23800 0.36800
O8 0.51700 0.08400 0.76500
O9 0.23800 0.13000 0.38900