#------------------------------------------------------------------------------
#$Date: 2016-11-19 09:28:37 +0200 (Sat, 19 Nov 2016) $
#$Revision: 188591 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/46/1544639.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1544639
loop_
_publ_author_name
'Ito, M.'
'Yokoyama, K.'
'Momma, K.'
'Miyawaki, R.'
'Nakai, I.'
'Kato, A.'
_publ_section_title
;
 Crystal structure of suzukiite from the Mogurazawa mine, Gunma
 Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              222
_journal_page_last               227
_journal_volume                  109
_journal_year                    2014
_chemical_formula_sum            'Ba0.97 O7 Si2 Sr0.03 V'
_chemical_name_common            Ba0.97Sr0.03VSi2O7
_chemical_name_mineral           suzukiite
_space_group_IT_number           63
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3546(16)
_cell_length_b                   15.2490(5)
_cell_length_c                   7.094(2)
_cell_volume                     579.2(2)
_cod_data_source_file            suzukiite.cif
_cod_data_source_block           suzukiite
_cod_original_formula_sum        'Ba0.97 Sr0.03 V Si2 O7'
_cod_database_code               1544639
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z+1/2'
'x, y, -z+1/2'
'-x, y, -z+1/2'
'x, -y, z+1/2'
'x, -y, -z'
'-x, y, z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, -z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
BaSr 0.9700 0.000000 0.707533(17) 0.250000 Uiso 0.009133 Ba
BaSr 0.0300 0.000000 0.707533(17) 0.250000 Uiso 0.009133 Sr
V 1.0 0.000000 0.39396(6) 0.250000 Uiso 0.007867 V
Si 1.0 0.000000 0.10393(6) 0.02415(14) Uiso 0.007333 Si
O1 1.0 0.2507(4) 0.35222(11) 0.0616(2) Uiso 0.010633 O
O2 1.0 0.000000 0.000000 0.000000 Uiso 0.017067 O
O3 1.0 0.000000 0.4984(4) 0.250000 Uiso 0.016267 O
O4 1.0 0.000000 0.1311(4) 0.250000 Uiso 0.011633 O
