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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002429.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_9002429
_chemical_name 'Cabalzarite'
loop_
_publ_author_name
'Brugger J'
'Meisser N'
'Schenk K'
'Berlepsch P'
'Bonin M'
'Armbruster T'
'Nyfeler D'
'Schmidt S'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 1307
_journal_page_last 1314
_publ_section_title
;
 Description and crystal structure of cabalzarite Ca(Mg,Al,Fe)2(AsO4)2(H2O,OH)2,
 a new mineral of the tsumcorite group
 Locality: Falotta, Graubunden, Switzerland
 Sample: CABA11.5, Lausanne
;
_chemical_formula_sum 'Ca (Mg.784 Al.816 Fe.354 Mn.046) As2 O10 H3'
_cell_length_a 8.925
_cell_length_b 6.143
_cell_length_c 7.352
_cell_angle_alpha 90
_cell_angle_beta 115.25
_cell_angle_gamma 90
_cell_volume 364.570
_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
CaM1   0.00000   0.00000   0.00000   1.00000   0.00900
MgM2   0.25000   0.25000   0.50000   0.39200   0.00400
AlM2   0.25000   0.25000   0.50000   0.40800   0.00400
FeM2   0.25000   0.25000   0.50000   0.17700   0.00400
MnM2   0.25000   0.25000   0.50000   0.02300   0.00400
As   0.91597   0.50000   0.20844   1.00000   0.00491
Ow1   0.34010   0.50000   0.40890   1.00000   0.01020
O2   0.31680   0.00000   0.36480   1.00000   0.00980
O3   0.03710   0.27710   0.25190   1.00000   0.00840
O4   0.24020   0.50000   0.01870   1.00000   0.01400
H11   0.42780   0.50000   0.47850   0.50000   0.01500
H14   0.33210   0.50000   0.30580   1.00000   0.05200