#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001780.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_9001780
_chemical_name 'Tremolite'
loop_
_publ_author_name
'Yang H'
'Evans B W'
_journal_name_full "American Mineralogist"
_journal_volume 81
_journal_year 1996
_journal_page_first 1117
_journal_page_last 1125
_publ_section_title
;
 X-ray structure refinements of tremolite at 140 and 295 K: Crystal chemistry an
 petrologic implications
 T = 295 K
;
_chemical_formula_sum 'Mg5 Ca2 Si8 O24 H2'
_cell_length_a 9.8356
_cell_length_b 18.0557
_cell_length_c 5.2785
_cell_angle_alpha 90
_cell_angle_beta 104.782
_cell_angle_gamma 90
_cell_volume 906.377
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Mg1   0.00000   0.08769   0.50000   1.00000 ?
Mg2   0.00000   0.17653   0.00000   1.00000 ?
Mg3   0.00000   0.00000   0.00000   1.00000 ?
Ca4   0.00000   0.27812   0.50000   0.50000 ?
Ca4*   0.00000   0.26120   0.50000   0.50000   0.03420
Si1   0.28006   0.08408   0.29689   1.00000 ?
Si2   0.28825   0.17112   0.80447   1.00000 ?
O1   0.11186   0.08605   0.21749   1.00000 ?
O2   0.11871   0.17120   0.72414   1.00000 ?
O3   0.11036   0.00000   0.71619   1.00000 ?
O4   0.36531   0.24781   0.79313   1.00000 ?
O5   0.34592   0.13402   0.09930   1.00000 ?
O6   0.34355   0.11863   0.58847   1.00000 ?
O7   0.33662   0.00000   0.29264   1.00000 ?
H   0.20637   0.00000   0.77111   1.00000   0.02913