#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528946.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_1528946
loop_
_publ_author_name
'Tsuchiya, T.'
'Wentzcovitch, R.M.'
'Umemoto, S.'
'Tsuchiya, J.'
_publ_section_title
;
 Phase transition in Mg Si O3 perovskite in the earth's lower mantle
;
_journal_name_full               'Earth and Planetary Science Letters'
_journal_page_first              241
_journal_page_last               248
_journal_volume                  224
_journal_year                    2004
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_systematic        'Mg Si O3'
_space_group_IT_number           63
_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            4
_cell_length_a                   2.462
_cell_length_b                   8.053
_cell_length_c                   6.108
_cell_volume                     121.100
_citation_journal_id_ASTM        EPSLA2
_cod_data_source_file            Tsuchiya_EPSLA2_2004_1122.cif
_cod_data_source_block           Mg1O3Si1
_cod_original_cell_volume        121.1002
_cod_original_formula_sum        'Mg1 O3 Si1'
_cod_database_code               1528946
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
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
O1 O-2 0 0.073 0.25 1 0.0
Si1 Si+4 0 0 0 1 0.0
O2 O-2 0 0.363 0.441 1 0.0
Mg1 Mg+2 0 0.253 0.75 1 0.0
