data_global
_chemical_name_mineral 'Magnesiohornblende'
loop_
_publ_author_name
'Oberti R'
'Ungaretti L'
'Cannillo E'
'Hawthorne F C'
'Memmi I'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 7 
_journal_year 1995
_journal_page_first 1049
_journal_page_last 1063
_publ_section_title
;
 Temperature-dependent Al order-disorder in the
 tetrahedral double chain of C2/m amphiboles
 Sample: S(3)
;
_database_code_amcsd 0006602
_chemical_formula_sum 'Na.28 K.13 Fe1.63 Mg3.14 Al1.33 Ti.15 Ca1.81 Mn.02 Si6.92 H1.953 O23.953 F.047'
_cell_length_a 9.856
_cell_length_b 18.078
_cell_length_c 5.311
_cell_angle_alpha 90
_cell_angle_beta 104.85
_cell_angle_gamma 90
_cell_volume 914.691
_exptl_crystal_density_diffrn      3.181
_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
NaA   0.00000   0.50000   0.00000   0.05600   0.02039
KA   0.00000   0.50000   0.00000   0.02600   0.02039
NaAm   0.04360   0.50000   0.09240   0.05600   0.01684
KAm   0.04360   0.50000   0.09240   0.02600   0.01684
NaA2   0.00000   0.47000   0.00000   0.05600   0.03166
KA2   0.00000   0.47000   0.00000   0.02600   0.03166
FeM1   0.00000   0.08880   0.50000   0.30000   0.00684
MgM1   0.00000   0.08880   0.50000   0.70000   0.00684
AlM2   0.00000   0.17770   0.00000   0.11000   0.00595
TiM2   0.00000   0.17770   0.00000   0.07500   0.00595
FeM2   0.00000   0.17770   0.00000   0.26000   0.00595
MgM2   0.00000   0.17770   0.00000   0.55500   0.00595
AlM3   0.00000   0.00000   0.00000   0.03000   0.00621
FeM3   0.00000   0.00000   0.00000   0.34000   0.00621
MgM3   0.00000   0.00000   0.00000   0.63000   0.00621
CaM4   0.00000   0.27890   0.50000   0.45250   0.01115
MnM4   0.00000   0.27890   0.50000   0.00500   0.01115
FeM4   0.00000   0.27890   0.50000   0.04250   0.01115
CaM4*   0.00000   0.25330   0.50000   0.45250   0.00874
MnM4*   0.00000   0.25330   0.50000   0.00500   0.00874
FeM4*   0.00000   0.25330   0.50000   0.04250   0.00874
SiT1   0.28040   0.08500   0.29870   0.78000   0.00557
AlT1   0.28040   0.08500   0.29870   0.22000   0.00557
SiT2   0.29010   0.17180   0.80820   0.95000   0.00646
AlT2   0.29010   0.17180   0.80820   0.05000   0.00646
H   0.19500   0.00000   0.75870   0.97650   0.00633
O1   0.10900   0.08840   0.21500   1.00000   0.00874
O2   0.11940   0.17340   0.72960   1.00000   0.00899
O3   0.11050   0.00000   0.71380   0.97650   0.00988
F3   0.11050   0.00000   0.71380   0.02350   0.00988
O4   0.36760   0.24890   0.79080   1.00000   0.01153
O5   0.34790   0.13690   0.10430   1.00000   0.01216
O6   0.34290   0.11830   0.59580   1.00000   0.01178
O7   0.33560   0.00000   0.28630   1.00000   0.01305