#------------------------------------------------------------------------------
#$Date: 2009-12-10 16:11:18 +0200 (Thu, 10 Dec 2009) $
#$Revision: 1016 $
#$URL: svn://www.crystallography.net/cod-tools/tests/inputs/9001201-then-quenched.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_9001201
loop_
_publ_author_name
'Ottonello G'
'Della Giusta A'
'Molin G M'
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.63, synthesized at 900 C, then quenched
 Mg.634Ni1.363SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg0.66 Ni1.34 O4 Si'
_[local]_cod_chemical_formula_sum_orig '(Ni1.34 Mg.66) Si O4'
_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                   4.7393
_cell_length_b                   10.1620
_cell_length_c                   5.9330
_cell_volume                     285.738
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 0.00684
Mg1 0.00000 0.00000 0.00000 0.13000 0.00684
Ni2 0.99120 0.27480 0.25000 0.47000 0.00722
Mg2 0.99120 0.27480 0.25000 0.53000 0.00722
Si 0.42590 0.09300 0.25000 1.00000 0.00646
O1 0.76920 0.09300 0.25000 1.00000 0.00785
O2 0.21740 0.44540 0.25000 1.00000 0.00760
O3 0.27600 0.16290 0.03190 1.00000 0.00925
