data_global
_chemical_name_mineral 'Kanoite'
loop_
_publ_author_name
'Gordon W A'
'Peacor D R'
'Brown P E'
'Essene E J'
'Allard L F'
_journal_name_full 'American Mineralogist'
_journal_volume 66 
_journal_year 1981
_journal_page_first 127
_journal_page_last 141
_publ_section_title
;
 Exsolution relationship in a clinopyroxene of average composition
 Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy
;
_database_code_amcsd 0000806
_chemical_formula_sum '(Mg.52 Mn.48) Si O3'
_cell_length_a 9.78
_cell_length_b 8.93
_cell_length_c 5.32
_cell_angle_alpha 90
_cell_angle_beta 108.6
_cell_angle_gamma 90
_cell_volume 440.356
_exptl_crystal_density_diffrn      3.472
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1   0.25050   0.65440   0.23570   0.90000
Mn1   0.25050   0.65440   0.23570   0.10000
Mn2   0.25340   0.02350   0.23320   0.86000
Mg2   0.25340   0.02350   0.23320   0.14000
Si1a   0.04130   0.34110   0.27100   1.00000
Si1b   0.54660   0.83880   0.24080   1.00000
O1a   0.86740   0.33830   0.16520   1.00000
O1b   0.37260   0.83820   0.13670   1.00000
O2a   0.11810   0.50090   0.32550   1.00000
O2b   0.62390   0.99160   0.35890   1.00000
O3a   0.10340   0.25900   0.57070   1.00000
O3b   0.60380   0.71610   0.49010   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mg1 0.00566 0.00687 0.00927 0.00042 0.00047 0.00091
Mn1 0.00566 0.00687 0.00927 0.00042 0.00047 0.00091
Mn2 0.01001 0.01252 0.01352 0.00126 0.00142 0.00091
Mg2 0.01001 0.01252 0.01352 0.00126 0.00142 0.00091
Si1a 0.00740 0.00768 0.01236 -0.00084 0.00260 -0.00137
Si1b 0.00696 0.00848 0.01236 -0.00042 0.00260 -0.00137
O1a 0.00827 0.00929 0.01777 0.00084 0.00379 0.00205
O1b 0.01088 0.00889 0.01494 0.00042 0.00450 0.00228
O2a 0.01349 0.01050 0.01597 -0.00335 0.00379 -0.00274
O2b 0.00827 0.01535 0.01868 -0.00168 0.00213 -0.00388
O3a 0.00914 0.01656 0.01674 -0.00294 0.00284 0.00388
O3b 0.01001 0.01778 0.01443 0.00168 0.00118 0.00776