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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/9/9009602.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_9009602
_chemical_name 'Omphacite'
loop_
_publ_author_name
'Mottana A'
'Rossi G'
'Kracher A'
'Kurat G'
_journal_name_full "Tschermaks Mineralogische und Petrographische Mitteilungen"
_journal_volume 26
_journal_year 1979
_journal_page_first 187
_journal_page_last 201
_publ_section_title
;
 Violan revisited: Mn-bearing omphacite and diopside
 Locality: manganese deposit of Praborna, St Marcel, Aosta Valley, Italy
;
_chemical_formula_sum '(Na1.048 Ca.952) Mg.936 Fe.159 Al.905 Si4 O12'
_cell_length_a 9.578
_cell_length_b 8.772
_cell_length_c 5.253
_cell_angle_alpha 90
_cell_angle_beta 106.89
_cell_angle_gamma 90
_cell_volume 422.310
_symmetry_space_group_name_H-M 'P 1 2/n 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,1/2-z'
  '1/2+x,-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_Uiso_or_equiv
Na2   0.25000   0.55270   0.25000   0.71600   0.01077
Ca2   0.25000   0.55270   0.25000   0.28400   0.01077
Ca22   0.25000   0.94970   0.75000   0.66800   0.00925
Na22   0.25000   0.94970   0.75000   0.33200   0.00925
Mg1   0.25000   0.15830   0.25000   0.93600   0.00545
Fe1   0.25000   0.15830   0.25000   0.06400   0.00545
Al11   0.25000   0.34760   0.75000   0.90500   0.00557
Fe11   0.25000   0.34760   0.75000   0.09500   0.00557
Si1   0.53890   0.34650   0.22680   1.00000   0.00494
Si2   0.53720   0.16150   0.73010   1.00000   0.00557
O11   0.36350   0.33720   0.12340   1.00000   0.00823
O12   0.36120   0.17560   0.64610   1.00000   0.00773
O21   0.61340   0.50850   0.30840   1.00000   0.00975
O22   0.60640   0.99760   0.80510   1.00000   0.00988
O31   0.60520   0.26550   0.00320   1.00000   0.00785
O32   0.59890   0.23930   0.49740   1.00000   0.00785