#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005139.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_9005139
_chemical_name 'Ellenbergerite'
loop_
_publ_author_name
'Comodi P'
'Zanazzi P F'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 5
_journal_year 1993
_journal_page_first 819
_journal_page_last 829
_publ_section_title
;
 Structural study of ellenbergerite. Part 1: Effects of high temperature
 Sample: I, T = 20 deg C
;
_chemical_formula_sum 'Mg3.7 Al3 Ti.3 Si4 O19 H4.69'
_cell_length_a 12.2471
_cell_length_b 12.2471
_cell_length_c 4.9287
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 640.220
_symmetry_space_group_name_H-M 'P 63'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
MgM11   0.42730   0.33850   0.00000   1.00000
AlM12   0.35030   0.42090   0.49570   1.00000
MgM2   0.00000   0.00000   0.20440   0.70000
TiM2   0.00000   0.00000   0.20440   0.30000
SiT1   0.66667   0.33333   0.78340   1.00000
SiT2   0.30710   0.14840   0.47890   1.00000
O1   0.27970   0.34330   0.17140   1.00000
O2   0.38540   0.17710   0.19110   1.00000
O3   0.35580   0.28340   0.63140   1.00000
O4   0.15310   0.07240   0.43370   0.66667
O-H4   0.15310   0.07240   0.43370   0.33333
O5   0.47420   0.52190   0.81100   1.00000
O6   0.38920   0.58070   0.38580   1.00000
O7   0.33333   0.66667   0.95120   1.00000
H1   0.44900   0.55400   0.93000   1.00000
H2   0.33333   0.66667   0.77900   1.00000