#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001607.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9001607
loop_
_publ_author_name
'Hawthorne, F. C.'
'Ungaretti, L.'
'Oberti, R.'
'Cannillo, E.'
_publ_section_title
;
 The mechanism of Li incorporation in amphiboles
 Sample: A5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              443
_journal_page_last               451
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum
'Al0.16 Ca0.1 F0.42 Fe1.174 H2 K0.2 Li0.24 Mg3.34 Mn0.126 Na2.45 O23.58 Si7.92 Ti0.04'
_chemical_name_mineral           Ferri-eckermannite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.85
_cell_angle_gamma                90
_cell_length_a                   9.779
_cell_length_b                   17.888
_cell_length_c                   5.287
_cell_volume                     897.949
_exptl_crystal_density_diffrn    3.105
_[local]_cod_chemical_formula_sum_orig
'Si7.92 Al.16 Mg3.34 Fe1.174 Mn.126 Ti.04 Li.24 Na2.45 Ca.1 K.2 H2 O23.58 F.42'
_cod_database_code               9001607
_amcsd_database_code             AMCSD#0001658
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_U_iso_or_equiv
Si1 0.28020 0.08570 0.29320 0.99000 0.00507
Al1 0.28020 0.08570 0.29320 0.01000 0.00507
Si2 0.28840 0.17130 0.80160 0.99000 0.00532
Al2 0.28840 0.17130 0.80160 0.01000 0.00532
Mg1 0.00000 0.08770 0.50000 0.93000 0.00709
Al1 0.00000 0.08770 0.50000 0.04000 0.00709
Fe1 0.00000 0.08770 0.50000 0.02700 0.00709
Mn1 0.00000 0.08770 0.50000 0.00300 0.00709
Mg2 0.00000 0.18070 0.00000 0.36000 0.00595
Ti2 0.00000 0.18070 0.00000 0.02000 0.00595
Fe2 0.00000 0.18070 0.00000 0.56000 0.00595
Mn2 0.00000 0.18070 0.00000 0.06000 0.00595
Li3 0.00000 0.00000 0.00000 0.24000 0.00697
Mg3 0.00000 0.00000 0.00000 0.76000 0.00697
Na4 0.00000 0.27640 0.50000 0.95000 0.01355
Ca4 0.00000 0.27640 0.50000 0.05000 0.01355
NaA 0.00000 0.50000 0.00000 0.11000 0.05522
KA 0.00000 0.50000 0.00000 0.04000 0.05522
NaAm 0.04790 0.50000 0.10140 0.11000 0.03559
KAm 0.04790 0.50000 0.10140 0.04000 0.03559
NaA2 0.00000 0.46540 0.00000 0.11000 0.04876
KA2 0.00000 0.46540 0.00000 0.04000 0.04876
H 0.17390 0.00000 0.74370 1.00000 0.02001
O1 0.11110 0.08820 0.21420 1.00000 0.00697
O2 0.11820 0.16930 0.73180 1.00000 0.00760
O-h3 0.10910 0.00000 0.70750 0.79000 0.00975
F3 0.10910 0.00000 0.70750 0.21000 0.00975
O4 0.36270 0.25030 0.79960 1.00000 0.00975
O5 0.34920 0.12940 0.08490 1.00000 0.00937
O6 0.34260 0.11930 0.58360 1.00000 0.00912
O7 0.33690 0.00000 0.29560 1.00000 0.01077