data_9004072
_chemical_name 'Hydroxylclinohumite'
loop_
_publ_author_name
'Kocman V'
'Rucklidge J C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 12
_journal_year 1973
_journal_page_first 39
_journal_page_last 45
_publ_section_title
;
 The crystal structure of a titaniferous clinohumite
;
_chemical_formula_sum 'Mg7.23 Fe1.51 Ti.26 Si4 O17.6 F.4 H2'
_cell_length_a 4.753
_cell_length_b 10.269
_cell_length_c 13.724
_cell_angle_alpha 100.90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 657.764
_symmetry_space_group_name_H-M 'P 21/b 1 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
MgM1A   0.50000   0.00000   0.50000   0.80600
FeM1A   0.50000   0.00000   0.50000   0.19400
MgM1B   0.00294   0.44596   0.27424   0.80300
FeM1B   0.00294   0.44596   0.27424   0.19700
MgM25   0.01258   0.13989   0.16997   0.84000
FeM25   0.01258   0.13989   0.16997   0.16000
MgM26   0.98872   0.75089   0.38792   0.75900
FeM26   0.98872   0.75089   0.38792   0.24100
MgM3   0.00599   0.38156   0.04182   0.81000
TiM3   0.00599   0.38156   0.04182   0.13000
FeM3   0.00599   0.38156   0.04182   0.06000
Si1   0.42699   0.56673   0.38952   1.00000
Si2   0.57563   0.32317   0.16460   1.00000
O11   0.76733   0.56471   0.38786   1.00000
O12   0.28089   0.42086   0.38774   1.00000
O13   0.27872   0.61312   0.29395   1.00000
O14   0.27941   0.65899   0.48633   1.00000
O21   0.23539   0.32279   0.16273   1.00000
O22   0.72116   0.46805   0.16273   1.00000
O23   0.72219   0.27913   0.26181   1.00000
O24   0.72579   0.22776   0.06969   1.00000
O-H   0.24213   0.54469   0.05394   0.54000
O   0.24213   0.54469   0.05394   0.26000
F   0.24213   0.54469   0.05394   0.20000