data_global
loop_
_publ_author_name
'Tschauner, O.'
'Kiefer, B.'
'Liu, H.'
'Sinogeikin, S.'
'Somayazulu, M.'
'Luo, S.-N.'
_publ_section_title
;
 Possible structural polymorphism in Al-bearing magnesiumsilicate post-perovskite
 Sample: 3X1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              533
_journal_page_last               539
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Mg Si O3'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.75
_cell_angle_gamma                90
_cell_length_a                   9.477
_cell_length_b                   6.205
_cell_length_c                   4.256
_cell_volume                     247.360
#BEGIN Tags that were not found in dictionaries:
_chemical_name                   MgSiO3
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1 0.04200 0.25000 0.51400
Mg2 0.30300 0.25000 0.07300
Mg3 0.55900 0.25000 0.98900
Mg4 0.79900 0.25000 0.89500
Si1 0.00000 0.00000 0.00000
Si2 0.50000 0.00000 0.50000
Si3 0.24700 0.50100 0.58300
O1 0.98500 0.25000 0.11100
O2 0.23000 0.25000 0.45500
O3 0.48000 0.25000 0.36800
O4 0.73520 0.25000 0.28700
O5 0.84500 0.55900 0.12500
O6 0.90600 0.44300 0.64700
O7 0.34300 0.55600 0.28300
O8 0.40700 0.44400 0.80100
