data_global
_amcsd_formula_title 'CoMgSiO4'
loop_
_publ_author_name
'Rinaldi R'
'Gatta G D'
'Artioli G'
'Knight K S'
'Geiger C A'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 32 
_journal_year 2005
_journal_page_first 655
_journal_page_last 664
_publ_section_title
;
 Crystal chemistry, cation ordering and thermoelastic
 behavior of CoMgSiO4 olivine at high temperature
 as studied by in situ neutron powder diffraction
 Sample: T = 300 C
;
_database_code_amcsd 0009013
_chemical_formula_sum '(Co Mg) Si O4'
_cell_length_a 4.78873
_cell_length_b 10.30879
_cell_length_c 6.02484
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 297.422
_exptl_crystal_density_diffrn      3.915
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_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
Co1   0.00000   0.00000   0.00000   0.68400   0.00868
Mg1   0.00000   0.00000   0.00000   0.31600   0.00868
Co2   0.98990   0.27732   0.25000   0.31600   0.00886
Mg2   0.98990   0.27732   0.25000   0.68400   0.00886
Si   0.42560   0.09517   0.25000   1.00000   0.00635
O1   0.76670   0.09342   0.25000   1.00000   0.01082
O2   0.21630   0.44893   0.25000   1.00000   0.01067
O3   0.27897   0.16389   0.03391   1.00000   0.01111