#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/90/1529039.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_1529039
loop_
_publ_author_name
'Yonesaki, Y.'
'Takei, T.'
'Kinomura, N.'
'Kumada, N.'
_publ_section_title
;
 Crystal structure of Eu(2+)-doped M3 Mg Si2 O8 (M: Ba, Sr, Ca) compounds
 and their emission properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              547
_journal_page_last               554
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Ba Ca Mg O8 Si2 Sr'
_chemical_name_systematic        '(Ba Sr Ca) Mg (Si2 O8)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.4647
_cell_length_b                   5.4647
_cell_length_c                   6.9105
_cell_volume                     178.720
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Yonesaki_JSSCBI_2009_1688.cif
_cod_data_source_block           Ba1Ca1Mg1O8Si2Sr1
_cod_original_cell_volume        178.7198
_cod_original_formula_sum        'Ba1 Ca1 Mg1 O8 Si2 Sr1'
_cod_database_code               1529039
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca1 Ca+2 0 0 0 0.02 0.0
O1 O-2 0.6667 0.3333 0.001 1 0.0
O2 O-2 0.1779 0.3558 0.6799 1 0.0
Sr1 Sr+2 0 0 0 0.04 0.0
Mg1 Mg+2 0 0 0.5 1 0.0
Sr2 Sr+2 0.6667 0.3333 0.66 0.48 0.0
Ca2 Ca+2 0.6667 0.3333 0.66 0.49 0.0
Ba2 Ba+2 0.6667 0.3333 0.66 0.03 0.0
Ba1 Ba+2 0 0 0 0.94 0.0
Si1 Si+4 0.6667 0.3333 0.2253 1 0.0
