data_global
_chemical_name_mineral 'Ferro-hornblende'
loop_
_publ_author_name
'Guha R'
'Nag D K'
'Iyengar S V P'
_journal_name_full 'Indian Minerals'
_journal_volume 41 
_journal_year 1987
_journal_page_first 32
_journal_page_last 41
_publ_section_title
;
 Structure of an amphibole from Simlipal granite, India
;
_database_code_amcsd 0012672
_chemical_compound_source 'Simlipal granite, India'
_chemical_formula_sum 'Na Ca2 Fe5 Si8 O24 H2'
_cell_length_a 9.984
_cell_length_b 18.223
_cell_length_c 5.327
_cell_angle_alpha 90
_cell_angle_beta 105.05
_cell_angle_gamma 90
_cell_volume 935.943
_exptl_crystal_density_diffrn      3.524
_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
NaA   0.00000   0.50000   0.00000
Ca4   0.00000   0.28067   0.50000
Fe1   0.00000   0.09039   0.50000
Fe2   0.00000   0.17932   0.00000
Fe3   0.00000   0.00000   0.00000
Si1   0.27843   0.08576   0.30085
Si2   0.29057   0.17211   0.81134
O1   0.10926   0.09127   0.21465
O2   0.12452   0.17646   0.73269
O-H3   0.11370   0.00000   0.71462
O4   0.36681   0.24796   0.79095
O5   0.34650   0.13767   0.09989
O6   0.34057   0.11872   0.59910
O7   0.33094   0.00000   0.28852
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
NaA 0.05453 0.06561 0.07892 0.00000 0.01829 0.00000
Ca4 0.01304 0.00050 0.01318 0.00000 0.00902 0.00000
Fe1 0.00876 0.00421 0.00674 0.00000 0.00568 0.00000
Fe2 0.00862 0.00336 0.01133 0.00000 0.00596 0.00000
Fe3 0.00805 0.00538 0.00662 0.00000 0.00121 0.00000
Si1 0.00772 0.00421 0.01067 0.00018 0.00447 0.00095
Si2 0.00603 0.00370 0.00774 0.00036 0.00515 0.00024
O1 0.03198 0.01480 0.02578 0.00187 0.00952 0.00000
O2 0.03179 0.01110 0.02937 0.00053 0.00889 0.00000
O-H3 0.03485 0.01548 0.02911 0.00000 0.01196 0.00000
O4 0.03527 0.01649 0.02468 0.00187 0.01666 0.00223
O5 0.02793 0.01766 0.02616 0.00151 0.00917 0.00076
O6 0.03136 0.01178 0.03372 0.00062 0.01201 0.00190
O7 0.03080 0.01026 0.03880 0.00000 0.01616 0.00000