#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/60/9016044.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_9016044
loop_
_publ_author_name
'Park, C. H.'
'Choi, Y. N.'
_publ_section_title
;
 Crystal structure of BaMg2Si2O7 and Eu2+ luminescence
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1884
_journal_page_last               1888
_journal_paper_doi               10.1016/j.jssc.2009.05.002
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Ba Mg2 O7 Si2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.2107
_cell_angle_gamma                90
_cell_length_a                   7.24553
_cell_length_b                   12.71376
_cell_length_c                   13.74813
_cell_formula_units_Z            8
_cell_volume                     1266.441
_database_code_amcsd             0019235
_exptl_crystal_density_diffrn    3.714
_cod_original_formula_sum        'Ba Mg2 Si2 O7'
_cod_database_code               9016044
_amcsd_formula_title             BaMg2Si2O7
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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 0.20034 0.01682 0.12043 0.00697
Mg1 0.50000 0.26930 0.25000 0.00633
Mg2 0.50000 0.72830 0.25000 0.00633
Mg3 0.03640 0.23520 0.50830 0.00633
Si1 0.28420 0.87400 0.36660 0.00367
Si2 0.32110 0.10520 0.37920 0.00367
O1 0.42510 0.77560 0.38650 0.00925
O2 0.17200 0.11560 0.29430 0.00925
O3 0.24870 0.13940 0.48510 0.00925
O4 0.50180 0.18120 0.36620 0.00925
O5 0.40760 -0.01600 0.37760 0.00925
O6 0.21900 0.85880 0.25510 0.00925
O7 0.11700 0.88400 0.44110 0.00925
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019235
