#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009966.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_9009966
loop_
_publ_author_name
'Nguyen N'
'Choisnet J'
'Raveau B'
_publ_section_title
;
 Silicates synthetiques a structure milarite
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_volume                  34
_journal_year                    1980
_chemical_formula_sum            'Cu2 K2 Mg3 O30 Si12'
_[local]_cod_chemical_formula_sum_orig 'K2 (Mg3 Cu2) Si12 O30'
_chemical_name_mineral           K2Mg3Cu2Si12O30
_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                   10.169
_cell_length_b                   10.169
_cell_length_c                   14.182
_cell_volume                     1270.061
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
KA1 0.00000 0.00000 0.25000 1.00000 0.01646
KA2 0.33333 0.66667 0.00000 0.50000 0.01140
MgM1 0.33333 0.66667 0.25000 0.87500 0.02786
CuM1 0.33333 0.66667 0.25000 0.12500 0.02786
MgM2 0.50000 0.00000 0.25000 0.41670 0.02026
CuM2 0.50000 0.00000 0.25000 0.58330 0.02026
Si 0.76400 0.11000 0.11000 1.00000 0.00507
O1 0.74700 0.13100 0.00000 1.00000 0.01773
O2 0.93100 0.21200 0.14000 1.00000 0.00127
O3 0.66200 0.15700 0.16500 1.00000 0.00380