data_9001205
loop_
_publ_author_name
'Ottonello G'
'Della Giusta A'
'Molin G M'
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.75, heated to 1150 C, then quenched
 Mg.505Ni1.492SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg0.54 Ni1.46 O4 Si'
_chemical_name_mineral           Olivine
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7350
_cell_length_b                   10.1526
_cell_length_c                   5.9278
_cell_volume                     284.965
_exptl_crystal_thermal_history   'heated to 1150 C, then quenched'
_[local]_cod_chemical_formula_sum_orig '(Ni1.46 Mg.54) Si O4'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-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,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ni1 0.00000 0.00000 0.00000 0.87000 0.00545
Mg1 0.00000 0.00000 0.00000 0.13000 0.00545
Ni2 0.99180 0.27450 0.25000 0.59000 0.00570
Mg2 0.99180 0.27450 0.25000 0.41000 0.00570
Si 0.42670 0.09380 0.25000 1.00000 0.00583
O1 0.76840 0.09290 0.25000 1.00000 0.00595
O2 0.21980 0.44490 0.25000 1.00000 0.00722
O3 0.27500 0.16300 0.03190 1.00000 0.00659
