data_global
_chemical_name_mineral 'Kanoite'
loop_
_publ_author_name
'Arlt T'
'Armbruster T'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 9 
_journal_year 1997
_journal_page_first 953
_journal_page_last 964
_publ_section_title
;
 The temperature-dependent P2_1/c - C2/c phase transition in the
 clinopyroxene kanoite MnMg[Si2O6]: a single-crystal X-ray and optical study
 T = 200 C
;
_database_code_amcsd 0006698
_chemical_formula_sum 'Mg1.109 Mn.821 Ca.07 Si2 O6'
_cell_length_a 9.758
_cell_length_b 8.897
_cell_length_c 5.283
_cell_angle_alpha 90
_cell_angle_beta 108.74
_cell_angle_gamma 90
_cell_volume 434.339
_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
_atom_site_U_iso_or_equiv
MgM1   0.25060   0.65390   0.23670   0.96900   0.00608
MnM1   0.25060   0.65390   0.23670   0.03100   0.00608
CaM2   0.25310   0.02387   0.23530   0.07000   0.01203
MnM2   0.25310   0.02387   0.23530   0.79000   0.01203
MgM2   0.25310   0.02387   0.23530   0.14000   0.01203
SiA   0.04200   0.34100   0.26930   1.00000   0.00709
SiB   0.54620   0.83910   0.24260   1.00000   0.00735
O1A   0.86700   0.33760   0.16290   1.00000   0.00874
O1B   0.37120   0.83770   0.13700   1.00000   0.00912
O2A   0.11820   0.50210   0.32650   1.00000   0.01127
O2B   0.62390   0.99420   0.35710   1.00000   0.01431
O3A   0.10430   0.25860   0.56610   1.00000   0.01254
O3B   0.60460   0.71990   0.49840   1.00000   0.01305
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
MgM1 0.00630 0.00640 0.00570 0.00100 0.00190 0.00060
MnM1 0.00630 0.00640 0.00570 0.00100 0.00190 0.00060
CaM2 0.01280 0.01260 0.00930 0.00170 0.00140 0.00100
MnM2 0.01280 0.01260 0.00930 0.00170 0.00140 0.00100
MgM2 0.01280 0.01260 0.00930 0.00170 0.00140 0.00100
SiA 0.00590 0.00730 0.00800 -0.00050 0.00230 -0.00070
SiB 0.00700 0.00780 0.00790 -0.00120 0.00310 -0.00090
O1A 0.00600 0.01200 0.00900 0.00000 0.00300 0.00000
O1B 0.00500 0.01100 0.01000 -0.00100 0.00200 0.00000
O2A 0.01200 0.00800 0.01400 -0.00400 0.00500 -0.00200
O2B 0.01500 0.01300 0.01500 0.00400 0.00400 0.01000
O3A 0.00700 0.01500 0.01500 0.00400 0.00400 0.01000
O3B 0.01100 0.01800 0.01200 0.00000 0.00600 0.00600