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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/9/9001563.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_9001563
_chemical_name 'Richterite'
loop_
_publ_author_name
'Della Ventura G'
'Robert J-L'
'Beny J-M'
'Raudsepp M'
'Hawthorne F C'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 980
_journal_page_last 987
_publ_section_title
;
 The OH-F substitution in Ti-rich potassium richterite: Rietveld structure
 refinement and FTIR and micro-Raman spectroscopic studies of synthetic
 amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF
 Sample Rich63
 Atomic parameters from ICSD
;
_chemical_formula_sum 'O22 F2 Si7.84 Ti.16 Mg5 (Na Ca) K'
_cell_length_a 10.0149
_cell_length_b 18.0099
_cell_length_c 5.2862
_cell_angle_alpha 90
_cell_angle_beta 104.954
_cell_angle_gamma 90
_cell_volume 921.167
_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
O1   0.11250   0.08820   0.22030   1.00000   0.01013
O2   0.11370   0.17010   0.72460   1.00000   0.01013
F   0.10010   0.00000   0.71770   1.00000   0.01013
O3   0.35500   0.24820   0.79250   1.00000   0.01013
O4   0.33670   0.12950   0.09200   1.00000   0.01393
O5   0.33670   0.11670   0.59380   1.00000   0.01393
O6   0.33290   0.00000   0.31410   1.00000   0.01520
Si1   0.27870   0.08520   0.30360   1.00000   0.00507
Si2   0.28320   0.17020   0.80660   0.96000   0.00507
Ti   0.28320   0.17020   0.80660   0.04000   0.00507
Mg1   0.00000   0.09000   0.50000   1.00000   0.00760
Mg2   0.00000   0.17960   0.00000   1.00000   0.00760
Mg3   0.00000   0.00000   0.00000   1.00000   0.00760
Na   0.00000   0.27650   0.50000   0.50000   0.01140
Ca   0.00000   0.27650   0.50000   0.50000   0.01140
K   0.02330   0.50000   0.05180   0.50000   0.02913