data_global
_chemical_name_mineral 'Magnesiostaurolite'
loop_
_publ_author_name
'Chopin C'
'Goffe B'
'Ungaretti L'
'Oberti R'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 15
_journal_year 2003
_journal_page_first 167
_journal_page_last 176
_publ_section_title
;
 Magnesiostaurolite and zincostaurolite: mineral description with a petrogenetic
 and crystal-chemical update
;
_database_code_amcsd 6961
_chemical_formula_sum 'Al4.395 Ti.01 Mg.758 Fe.04 Si1.99 Li.235 Zn.005 O12 H.995'
_cell_length_a 7.8706
_cell_length_b 16.5411
_cell_length_c 5.6323
_cell_angle_alpha 90.0
_cell_angle_beta 90.007
_cell_angle_gamma 90.0
_cell_volume 733.26
_exptl_crystal_density_diffrn  3.538
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
AlM1A   0.5  0.1734  0.0  1.0  0.00545
AlM1B   0.5  0.1734  0.5  1.0  0.00545
AlM2   0.2641  0.4099  0.25  0.995  0.00557
TiM2   0.2641  0.4099  0.25  0.005  0.00557
AlM3A   0.0  0.0  0.0  0.395  0.00621
MgM3A   0.0  0.0  0.0  0.1125  0.00621
AlM3B   0.0  0.0  0.5  0.395  0.00557
MgM3B   0.0  0.0  0.5  0.1125  0.00557
FeM4A   0.5  0.0  0.0  0.04  0.01127
MgM4A   0.5  0.0  0.0  0.18  0.01127
FeM4B   0.5  0.0  0.5  0.04  0.01545
MgM4B   0.5  0.0  0.5  0.18  0.01545
SiT1   0.1339  0.1667  0.2494  0.995  0.00342
AlT1   0.1339  0.1667  0.2494  0.005  0.00342
MgT2   0.3917  0.0  0.2509  0.465  0.01735
LiT2   0.3917  0.0  0.2509  0.235  0.01735
ZnT2   0.3917  0.0  0.2509  0.005  0.01735
O-H1A   0.2364  0.0  0.9658  0.4975  0.00963
O1A   0.2364  0.0  0.9658  0.5025  0.00963
O-H1B   0.2346  0.0  0.5345  0.4975  0.00823
O1B   0.2346  0.0  0.5345  0.5025  0.00823
O2A   0.2553  0.1617  0.014  1.0  0.0038
O2B   0.2543  0.1618  0.4844  1.0  0.00431
O3   0.0027  0.0887  0.2502  1.0  0.00709
O4   0.0206  0.2502  0.2508  1.0  0.00431
O5   0.5278  0.0979  0.2512  1.0  0.00469
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
AlM1A   0.00502  0.00554  0.0053  0.0  -0.0018  0.0
AlM1B   0.00377  0.00554  0.00675  0.0  0.00067  0.0
AlM2   0.00251  0.00693  0.00771  0.0  -0.00225  -0.00047
TiM2   0.00251  0.00693  0.00771  0.0  -0.00225  -0.00047
SiT1   0.00126  0.00416  0.0053  0.00066  -0.0009  0.00047
AlT1   0.00126  0.00416  0.0053  0.00066  -0.0009  0.00047
MgT2   0.0069  0.00554  0.04018  0.0  -0.00359  0.0
LiT2   0.0069  0.00554  0.04018  0.0  -0.00359  0.0
ZnT2   0.0069  0.00554  0.04018  0.0  -0.00359  0.0
O-H1A   0.01067  0.00139  0.01655  0.0  -0.00112  0.0
O1A   0.01067  0.00139  0.01655  0.0  -0.00112  0.0
O-H1B   0.01067  0.00277  0.01077  0.0  -0.00764  0.0
O1B   0.01067  0.00277  0.01077  0.0  -0.00764  0.0
O2A   0.0022  0.00277  0.00611  -0.00132  -0.0009  0.0
O2B   0.00471  0.00416  0.0045  0.0  -0.0009  0.00047
O3   0.00377  0.00277  0.01527  -0.00066  -0.00292  -0.00142
O4   0.00565  0.00416  0.00289  0.0  0.0  0.0
O5   0.00345  0.00554  0.00498  0.00132  -0.0018  0.00094