#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004530.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_9004530
loop_
_publ_author_name
'Ferraris G'
'Prencipe M'
'Puatov L A'
'Sokolova E V'
_publ_section_title
;
 The crystal structure of darapiosite and a comparison
 with Li- and Zn-bearing minerals of the milarite group
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              769
_journal_page_last               774
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum
'(Mn1.46 Zr.28 Y.22 Mg.04) Na1.22 K1.36 Si12 (Li1.53 Zn1.14 Fe.33) O30'
_chemical_name_mineral           Darapiosite
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.262
_cell_length_b                   10.262
_cell_length_c                   14.307
_cell_volume                     1304.798
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,-z
x-y,x,z
-y,-x,1/2+z
y,x,1/2-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,-z
-x,-y,z
x,x-y,1/2+z
-x,-x+y,1/2-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,-z
y,-x+y,z
-x+y,y,1/2+z
x-y,-y,1/2-z
-x,-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
MnA 0.33333 0.66667 0.25000 0.73000 0.01170
ZrA 0.33333 0.66667 0.25000 0.14000 0.01170
YA 0.33333 0.66667 0.25000 0.11000 0.01170
MgA 0.33333 0.66667 0.25000 0.02000 0.01170
NaB 0.33333 0.66667 0.00000 0.61000 0.06900
KB 0.33333 0.66667 0.00000 0.18000 0.06900
KC 0.00000 0.00000 0.25000 1.00000 0.02360
SiT1 0.10900 0.34665 0.11042 1.00000 0.01220
LiT2 0.00000 0.50000 0.25000 0.51000 0.01220
ZnT2 0.00000 0.50000 0.25000 0.38000 0.01220
FeT2 0.00000 0.50000 0.25000 0.11000 0.01220
O1 0.12500 0.38570 0.00000 1.00000 0.02830
O2 0.21420 0.27430 0.13550 1.00000 0.02220
O3 0.15300 0.49460 0.16870 1.00000 0.01760