data_9001226
_chemical_name 'Hornblende'
loop_
_publ_author_name
'Phillips M W'
'Draheim J E'
'Popp R K'
'Clowe C A'
'Pinkerton A A'
_journal_name_full "American Mineralogist"
_journal_volume 74
_journal_year 1989
_journal_page_first 764
_journal_page_last 773
_publ_section_title
;
 Effects of oxidation-dehydrogenation in tschermakitic hornblende
 sample H-11, after annealing at 650 C, 1 kbar
;
_chemical_formula_sum 'Al2.42 Si6.44 Fe1.884 Mg2.186 Ti.07 Ca1.806 Na.664 O24 H1
_cell_length_a 9.803
_cell_length_b 18.046
_cell_length_c 5.313
_cell_angle_alpha 90
_cell_angle_beta 105.05
_cell_angle_gamma 90
_cell_volume 907.657
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Al1   0.28110   0.08682   0.30119   0.39000 ?
Si1   0.28110   0.08682   0.30119   0.61000 ?
Si2   0.29154   0.17306   0.81322   1.00000 ?
Fe1   0.00000   0.08869   0.50000   0.41300 ?
Mg1   0.00000   0.08869   0.50000   0.58700 ?
Fe2   0.00000   0.17764   0.00000   0.28400 ?
Mg2   0.00000   0.17764   0.00000   0.25100 ?
Al2   0.00000   0.17764   0.00000   0.43000 ?
Ti2   0.00000   0.17764   0.00000   0.03500 ?
Fe3   0.00000   0.00000   0.00000   0.49000 ?
Mg3   0.00000   0.00000   0.00000   0.51000 ?
Ca4   0.00000   0.27999   0.50000   0.90300 ?
Na4   0.00000   0.27999   0.50000   0.09700 ?
O1   0.10630   0.09060   0.21320   1.00000 ?
O2   0.11920   0.17430   0.73560   1.00000 ?
O3   0.11020   0.00000   0.71360   1.00000 ?
O4   0.36860   0.25050   0.79300   1.00000 ?
O5   0.35040   0.13950   0.10890   1.00000 ?
O6   0.34300   0.11950   0.60210   1.00000 ?
O7   0.33530   0.00000   0.28610   1.00000 ?
Na2/m   0.00000   0.50000   0.00000   0.47000 ?
H   0.31900   0.50000   0.26800   0.89000   0.00633