#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001503.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_9001503
loop_
_publ_author_name
'Hawthorne F C'
'Oberti R'
'Ungaretti L'
'Grice J D'
_publ_section_title
;
 Leakeite, NaNa2(Mg2Fe2Li)Si8O22(OH)2, a new alkali amphibole from the
 Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1112
_journal_page_last               1115
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'O24 Si8 Mg2.17 Fe2 Li.83 Na2.962 Ca.04 H2'
_chemical_name_mineral           Leakeite
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.37
_cell_angle_gamma                90
_cell_length_a                   9.822
_cell_length_b                   17.836
_cell_length_c                   5.286
_cell_volume                     897.056
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
O1 0.11000 0.09050 0.21540 1.00000 ?
O2 0.11840 0.16850 0.72840 1.00000 ?
O3 0.11100 0.00000 0.69850 1.00000 ?
O4 0.36230 0.25040 0.80270 1.00000 ?
O5 0.34860 0.12810 0.08500 1.00000 ?
O6 0.34360 0.11930 0.58540 1.00000 ?
O7 0.33380 0.00000 0.29830 1.00000 ?
Si1 0.27800 0.08620 0.29440 1.00000 ?
Si2 0.28830 0.17120 0.80180 1.00000 ?
Mg1 0.00000 0.08480 0.50000 0.72000 ?
Fe1 0.00000 0.08480 0.50000 0.28000 ?
Mg2 0.00000 0.17960 0.00000 0.28000 ?
Fe2 0.00000 0.17960 0.00000 0.72000 ?
Li3 0.00000 0.00000 0.00000 0.83000 ?
Mg3 0.00000 0.00000 0.00000 0.17000 ?
Na4 0.00000 0.27630 0.50000 0.98000 ?
Ca4 0.00000 0.27630 0.50000 0.02000 ?
NaA 0.00000 0.50000 0.00000 0.85000 ?
Nam 0.03990 0.50000 0.09300 0.03800 ?
Na2 0.00000 0.47660 0.00000 0.03800 0.05243
H 0.18450 0.00000 0.77050 1.00000 ?
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
O1 0.00596 0.00967 0.01076 -0.00086 0.00123 -0.00046
O2 0.00734 0.00967 0.01103 0.00086 0.00148 0.00185
O3 0.01055 0.00806 0.01474 -0.00344 0.00123 -0.00046
O4 0.01513 0.00645 0.01275 -0.00258 0.00420 0.00000
O5 0.00642 0.01289 0.00903 0.00086 0.00148 0.00324
O6 0.00734 0.01289 0.00784 0.00000 0.00123 -0.00278
O7 0.00963 0.00483 0.01979 0.00000 0.00173 0.00000
Si1 0.00596 0.00483 0.00638 0.00000 0.00099 -0.00046
Si2 0.00504 0.00483 0.00664 -0.00086 0.00123 0.00000
Mg1 0.00780 0.01128 0.00810 0.00000 0.00296 0.00000
Fe1 0.00780 0.01128 0.00810 0.00000 0.00296 0.00000
Mg2 0.00596 0.00483 0.00744 0.00000 0.00148 0.00000
Fe2 0.00596 0.00483 0.00744 0.00000 0.00148 0.00000
Li3 0.01055 0.00483 0.00863 0.00000 -0.00049 0.00000
Mg3 0.01055 0.00483 0.00863 0.00000 -0.00049 0.00000
Na4 0.01697 0.01128 0.02125 0.00000 0.01111 0.00000
Ca4 0.01697 0.01128 0.02125 0.00000 0.01111 0.00000
NaA 0.09218 0.01450 0.10242 0.00000 0.09478 0.00000
Nam 0.04953 0.02579 0.04477 0.00000 0.03678 0.00000