data_global
_chemical_name_mineral 'Kaersutite'
loop_
_publ_author_name
'Comopdi P'
'Boffa Ballaran T'
'Zanazzi P F'
'Capalbo C'
'Zanetti A'
'Nazzareni S'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 1042
_journal_page_last 1051
_publ_section_title
;
 The effect of oxo-component on the high-pressure behavior of amphiboles
 Sample: FR12 P = 4.84 GPa
;
_database_code_amcsd 0005065
_chemical_compound_source 'an alkaline basalt of the Massif Central, France'
_chemical_formula_sum 'Si8 Fe1.72 Mg3.5 Ca1.78 Na1.06 O24 H2'
_cell_length_a 9.660
_cell_length_b 17.781
_cell_length_c 5.233
_cell_angle_alpha 90
_cell_angle_beta 106.03
_cell_angle_gamma 90
_cell_volume 863.894
_exptl_crystal_density_diffrn      3.412
_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
SiT1   0.28970   0.08470   0.30950   1.00000   0.00700
SiT2   0.29310   0.17260   0.81290   1.00000   0.00800
FeM1   0.00000   0.07910   0.50000   0.50000   0.00800
MgM1   0.00000   0.07910   0.50000   0.50000   0.00800
MgM2   0.00000   0.17560   0.00000   0.80000   0.00700
FeM2   0.00000   0.17560   0.00000   0.20000   0.00700
MgM3   0.00000   0.00000   0.00000   0.68000   0.00400
FeM3   0.00000   0.00000   0.00000   0.32000   0.00400
CaM4   0.00000   0.27940   0.50000   0.89000   0.00700
MgM4*   0.00000   0.26000   0.50000   0.11000 ?
NaAm   0.03800   0.50000   0.05400   0.53000   0.01900
O1   0.10970   0.08600   0.22200   1.00000   0.00200
O2   0.11600   0.16930   0.72800   1.00000   0.00900
O-H3   0.10800   0.00000   0.71700   1.00000   0.00900
O4   0.36300   0.25300   0.78700   1.00000   0.00900
O5   0.35500   0.14490   0.11900   1.00000   0.01300
O6   0.35300   0.11410   0.62200   1.00000   0.01100
O7   0.35200   0.00000   0.27600   1.00000   0.01600