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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/15/9001503.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_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_compound_source
'Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India'
_chemical_formula_sum            'Ca0.04 Fe2 H2 Li0.83 Mg2.17 Na2.962 O24 Si8'
_chemical_name_mineral           Leakeite
_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                 104.37
_cell_angle_gamma                90
_cell_length_a                   9.822
_cell_length_b                   17.836
_cell_length_c                   5.286
_cell_formula_units_Z            2
_cell_volume                     897.056
_database_code_amcsd             0001541
_exptl_crystal_density_diffrn    3.149
_cod_original_formula_sum        'O24 Si8 Mg2.17 Fe2 Li.83 Na2.962 Ca.04 H2'
_cod_database_code               9001503
loop_
_space_group_symop_operation_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_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001541
