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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$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
_chemical_name 'Darapiosite'
loop_
_publ_author_name
'Ferraris G'
'Prencipe M'
'Puatov L A'
'Sokolova E V'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 37
_journal_year 1999
_journal_page_first 769
_journal_page_last 774
_publ_section_title
;
 The crystal structure of darapiosite and a comparison
 with Li- and Zn-bearing minerals of the milarite group
;
_chemical_formula_sum '(Mn1.46 Zr.28 Y.22 Mg.04) Na1.22 K1.36 Si12 (Li1.53 Zn1.1
_cell_length_a 10.262
_cell_length_b 10.262
_cell_length_c 14.307
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1304.798
_symmetry_space_group_name_H-M 'P 6/m c c'
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_Uiso_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