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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013430.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_9013430
loop_
_publ_author_name
'Yusupov, R. G.'
'Stanley, C. J.'
'Welch, M. D.'
'Spratt, J.'
'Cressey, G.'
'Rumsey, M. S.'
'Seltmann, R.'
'Igamberdiev, E.'
_publ_section_title
;
 Mavlyanovite, Mn5Si3: a new mineral species from a lamproite diatreme, Chatkal Ridge, Uzbekistan
 Locality: Chatkal Ridge, Uzbekistan
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  73
_journal_year                    2009
_chemical_formula_sum            'Mn5 Si3'
_chemical_name_mineral           Mavlyanovite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.8971
_cell_length_b                   6.8971
_cell_length_c                   4.8075
_cell_volume                     198.054
_exptl_crystal_density_diffrn    6.019
_cod_database_code               9013430
_amcsd_database_code             AMCSD#0012184
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,z
x,x-y,-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,1/2+z
y,x,1/2-z
y,-x+y,-z
-y,x-y,z
x-y,-y,z
-x+y,y,-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,1/2+z
-x,-x+y,1/2-z
x-y,x,-z
-x+y,-x,z
y,x,z
-y,-x,-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,1/2+z
x-y,-y,1/2-z
-x,-y,-z
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
Mn1 0.00600 0.00600 0.00380 0.00300 0.00000 0.00000
Mn2 0.00710 0.00540 0.00890 0.00270 0.00000 0.00000
Si 0.00570 0.00460 0.00910 0.00230 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn1 0.33333 0.66667 0.00000 0.00530
Mn2 0.23459 0.00000 0.25000 0.00730
Si 0.59779 0.00000 0.25000 0.00660