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: DL5 P = 0.67 GPa
;
_database_code_amcsd 0005068
_chemical_compound_source 'an alkaline basalt of Deadman Lake Volcanic Area, USA'
_chemical_formula_sum 'Si8 Mg3.19 Fe1.91 Ca1.88 K.54 O24 H2'
_cell_length_a 9.841
_cell_length_b 18.019
_cell_length_c 5.307
_cell_angle_alpha 90
_cell_angle_beta 105.330
_cell_angle_gamma 90
_cell_volume 907.580
_exptl_crystal_density_diffrn      3.262
_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   0.28160   0.08570   0.30400   1.00000   0.00900
SiT2   0.29060   0.17250   0.81230   1.00000   0.00700
MgM1   0.00000   0.08490   0.50000   0.60000   0.01200
FeM1   0.00000   0.08490   0.50000   0.40000   0.01200
MgM2   0.00000   0.17720   0.00000   0.69000   0.00700
FeM2   0.00000   0.17720   0.00000   0.31000   0.00700
MgM3   0.00000   0.00000   0.00000   0.61000   0.00800
FeM3   0.00000   0.00000   0.00000   0.39000   0.00800
CaM4   0.00000   0.27840   0.50000   0.94000   0.01200
FeM4*   0.00000   0.25400   0.50000   0.05000   0.01500
KAM   0.53800   0.00000   0.05700   0.27000   0.02500
O1   0.10560   0.08680   0.21740   1.00000   0.01100
O2   0.11950   0.17260   0.73260   1.00000   0.01000
O-H3   0.11600   0.00000   0.71200   1.00000   0.01300
O4   0.36600   0.25020   0.79190   1.00000   0.01400
O5   0.34980   0.13990   0.11130   1.00000   0.01200
O6   0.34550   0.11790   0.61100   1.00000   0.01300
O7   0.33600   0.00000   0.27700   1.00000   0.01600