#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009707.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_9009707
_chemical_name 'Fluckite'
loop_
_publ_author_name
'Catti M'
'Chiari G'
'Ferraris G'
_journal_name_full "Bulletin de Mineralogie"
_journal_volume 103
_journal_year 1980
_journal_page_first 129
_journal_page_last 134
_publ_section_title
;
 Fluckite, CaMn(HAsO4)2*2H2O, a structure related
 by pseudo-polytypism to krautite MnHAsO4*H2O
 Locality: Sainte Marie-aux-Mines, Alsace, France
;
_chemical_formula_sum 'Ca Mn As2 O10 H6'
_cell_length_a 8.459
_cell_length_b 7.613
_cell_length_c 6.968
_cell_angle_alpha 82.21
_cell_angle_beta 98.25
_cell_angle_gamma 95.86
_cell_volume 438.420
_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_Uiso_or_equiv
Ca   0.17110   0.10250   0.87330 ?
Mn   0.57640   0.15250   0.33860 ?
As1   0.18007   0.13538   0.36460 ?
As2   0.57539   0.22993   0.83841 ?
O-h1   0.05630   0.28820   0.41340 ?
O2   0.08670   0.03340   0.18010 ?
O3   0.20480  -0.00120   0.57420 ?
O4   0.34360   0.26230   0.30490 ?
O5   0.39770   0.30300   0.84620 ?
O6   0.65160   0.12840   0.05580 ?
O7   0.57100   0.09980   0.66230 ?
O-h8   0.71220   0.40630   0.77500 ?
Ow1   0.05020   0.37200   0.85790 ?
Ow2   0.70840   0.40910   0.36210 ?
HOh1  -0.02300   0.24700   0.42400   0.06333
HOh8   0.67000   0.48100   0.78000   0.02533
Hw11   0.06600   0.43300   0.76000   0.15198
Hw12  -0.02100   0.40900   0.87900   0.06333
Hw21   0.72800   0.41800   0.46100 ?
Hw22   0.66700   0.48900   0.29900   0.07599