#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/45/9004530.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_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
'Fe0.33 K1.36 Li1.53 Mg0.04 Mn1.46 Na1.22 O30 Si12 Y0.22 Zn1.14 Zr0.28'
_chemical_name_mineral           Darapiozite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_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
_exptl_crystal_density_diffrn    2.871
_[local]_cod_chemical_formula_sum_orig
'(Mn1.46 Zr.28 Y.22 Mg.04) Na1.22 K1.36 Si12 (Li1.53 Zn1.14 Fe.33) O30'
_cod_database_code               9004530
_amcsd_database_code             AMCSD#0005565
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