#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001606.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9001606
_chemical_name 'Ferri-eckermannite'
loop_
_publ_author_name
'Hawthorne F C'
'Ungaretti L'
'Oberti R'
'Cannillo E'
_journal_name_full "American Mineralogist"
_journal_volume 79
_journal_year 1994
_journal_page_first 443
_journal_page_last 451
_publ_section_title
;
 The mechanism of Li incorporation in amphiboles
 Sample: A4
 Note: Site occupancies are set to be the same as ones in sample A5
;
_chemical_formula_sum 'Si7.92 Al.16 Mg3.34 Fe1.174 Mn.126 Ti.04 Li.24 Na2.45 Ca.
_cell_length_a 9.771
_cell_length_b 17.887
_cell_length_c 5.289
_cell_angle_alpha 90
_cell_angle_beta 103.82
_cell_angle_gamma 90
_cell_volume 897.619
_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
Si1   0.28050   0.08570   0.29300   0.99000   0.00494
Al1   0.28050   0.08570   0.29300   0.01000   0.00494
Si2   0.28850   0.17140   0.80170   0.99000   0.00507
Al2   0.28850   0.17140   0.80170   0.01000   0.00507
Mg1   0.00000   0.08820   0.50000   0.93000   0.00659
All   0.00000   0.08820   0.50000   0.04000   0.00659
Fe1   0.00000   0.08820   0.50000   0.02700   0.00659
Mn1   0.00000   0.08820   0.50000   0.00300   0.00659
Mg2   0.00000   0.18090   0.00000   0.36000   0.00595
Ti2   0.00000   0.18090   0.00000   0.02000   0.00595
Fe2   0.00000   0.18090   0.00000   0.56000   0.00595
Mn2   0.00000   0.18090   0.00000   0.06000   0.00595
Li3   0.00000   0.00000   0.00000   0.24000   0.00684
Mg3   0.00000   0.00000   0.00000   0.76000   0.00684
Na4   0.00000   0.27650   0.50000   0.95000   0.01381
Ca4   0.00000   0.27650   0.50000   0.05000   0.01381
NaA   0.00000   0.50000   0.00000   0.11000   0.06434
KA   0.00000   0.50000   0.00000   0.04000   0.06434
NaAm   0.04780   0.50000   0.10350   0.11000   0.03711
KAm   0.04780   0.50000   0.10350   0.04000   0.03711
NaA2   0.00000   0.46780   0.00000   0.11000   0.05725
KA2   0.00000   0.46780   0.00000   0.04000   0.05725
H   0.18910   0.00000   0.75470   1.00000   0.05231
O1   0.11120   0.08810   0.21370   1.00000   0.00684
O2   0.11820   0.16950   0.73260   1.00000   0.00722
O-h3   0.10890   0.00000   0.70830   0.79000   0.00963
F3   0.10890   0.00000   0.70830   0.21000   0.00963
O4   0.36290   0.25040   0.79970   1.00000   0.00937
O5   0.34930   0.12950   0.08480   1.00000   0.00950
O6   0.34250   0.11950   0.58330   1.00000   0.00899
O7   0.33700   0.00000   0.29570   1.00000   0.01051