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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/9/9009704.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_9009704
_chemical_name 'Talmessite'
loop_
_publ_author_name
'Catti M'
'Ferraris G'
'Ivaldi G'
_journal_name_full "Bulletin de Mineralogie"
_journal_volume 100
_journal_year 1977
_journal_page_first 230
_journal_page_last 236
_publ_section_title
;
 Hydrogen bonding in the crystalline state. Structure of talmessite,
 Ca2(Mg,Co)(AsO4)2*2H2O, and crystal chemistry of related minerals
 Locality: Bou-Azzer, Morocco
;
_chemical_formula_sum 'Ca2 (Mg.65 Co.35) As2 O10 H1.02'
_cell_length_a 5.874
_cell_length_b 6.943
_cell_length_c 5.537
_cell_angle_alpha 97.3
_cell_angle_beta 108.7
_cell_angle_gamma 108.1
_cell_volume 196.762
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca   0.29490   0.76220   0.65290   1.00000
Mg   0.00000   0.00000   0.00000   0.65000
Co   0.00000   0.00000   0.00000   0.35000
As   0.33410   0.24600   0.67030   1.00000
O1   0.34200   0.12720   0.92170   1.00000
O2   0.23850   0.05040   0.39860   1.00000
O3   0.15500   0.39160   0.64120   1.00000
O4   0.63950   0.38640   0.71490   1.00000
Wat   0.95330   0.27780   0.07450   1.00000