#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000825.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_9000825
_chemical_name 'Fillowite'
loop_
_publ_author_name
'Araki T'
'Moore P B'
_journal_name_full "American Mineralogist"
_journal_volume 66
_journal_year 1981
_journal_page_first 827
_journal_page_last 842
_publ_section_title
;
 Fillowite, Na2Ca(Mn,Fe)7(PO4)6: Its crystal structure
;
_chemical_formula_sum 'Mn35.6 Ca4.66 Fe8.02 Na11.72 P36 O144'
_cell_length_a 15.282
_cell_length_b 15.282
_cell_length_c 43.507
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 8799.340
_symmetry_space_group_name_H-M 'R -3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1   0.00000   0.00000   0.00000   0.62000
Ca1   0.00000   0.00000   0.00000   0.38000
Mn2   0.00000   0.00000   0.50000   1.00000
Fe3   0.00000   0.00000   0.10083   1.00000
Fe4   0.00000   0.00000   0.32463   1.00000
Mn5   0.00000   0.00000   0.39880   1.00000
Mn6   0.42839   0.24706   0.05159   1.00000
Mn7   0.11125   0.57169   0.03778   1.00000
Mn8   0.00343   0.32387   0.08210   0.33000
Fe8   0.00343   0.32387   0.08210   0.67000
Mn9   0.26360   0.33025   0.08576   1.00000
Mn10   0.57395   0.08154   0.12440   1.00000
Mn11   0.22241   0.10811   0.13377   1.00000
Na1   0.00000   0.00000   0.17485   0.91000
Ca1   0.00000   0.00000   0.17485   0.09000
Na2   0.00000   0.00000   0.24871   0.90000
Ca2   0.00000   0.00000   0.24871   0.10000
Na3   0.07920   0.42728   0.16515   1.00000
Ca4   0.26607   0.29074   0.00104   0.65000
Na4   0.26607   0.29074   0.00104   0.35000
P1   0.19099   0.43418   0.02780   1.00000
P2   0.53388   0.11487   0.03893   1.00000
P3   0.54217   0.09121   0.19936   1.00000
P4   0.21794   0.12273   0.20976   1.00000
P5   0.22502   0.46060   0.22200   1.00000
P6   0.46755   0.21656   0.27903   1.00000
O1   0.16384   0.38196  -0.00371   1.00000
O2   0.25347   0.55116   0.02559   1.00000
O3   0.25597   0.39869   0.04487   1.00000
O4   0.09274   0.41058   0.04415   1.00000
O5   0.46016   0.12678   0.06001   1.00000
O6   0.55695   0.03458   0.05085   1.00000
O7   0.63683   0.21482   0.03920   1.00000
O8   0.48812   0.09088   0.00646   1.00000
O9   0.54102   0.03154   0.17097   1.00000
O10   0.62717   0.20328   0.19749   1.00000
O11   0.43952   0.08876   0.20189   1.00000
O12   0.55031   0.04003   0.22916   1.00000
O13   0.23250   0.07960   0.17998   1.00000
O14   0.12532   0.13521   0.20748   1.00000
O15  -0.11095   0.23987   0.11603   1.00000
O16   0.19863   0.04226   0.23476   1.00000
O17   0.27073   0.52738   0.19431   1.00000
O18   0.10715   0.40130   0.21959   1.00000
O19   0.25370   0.37674   0.22244   1.00000
O20   0.25286   0.51960   0.25266   1.00000
O21   0.52428   0.24646   0.24824   1.00000
O22   0.38217   0.10219   0.27484   1.00000
O23   0.41433   0.27752   0.28429   1.00000
O24   0.53077   0.22013   0.30646   1.00000