#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000741.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_9000741
_chemical_name 'Ferronigerite-6N6S'
loop_
_publ_author_name
'Grey I E'
'Gatehouse B M'
_journal_name_full "American Mineralogist"
_journal_volume 64
_journal_year 1979
_journal_page_first 1255
_journal_page_last 1264
_publ_section_title
;
 The crystal structure of nigerite-24R
 Locality: Mt Garnet, northern Queensland, Australia
;
_chemical_formula_sum 'Al7.45 Sn Fe1.4 Zn.7 O16 H'
_cell_length_a 18.826
_cell_length_b 18.826
_cell_length_c 18.826
_cell_angle_alpha 17.508
_cell_angle_beta 17.508
_cell_angle_gamma 17.508
_cell_volume 527.034
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Al(1)   0.50000   0.00000   0.50000   0.70000   0.00304
Sn(2)   0.28684   0.28684   0.28684   1.00000   0.00393
Al(3)   0.03070   0.03070   0.03070   0.60000   0.00659
Fe(3)   0.03070   0.03070   0.03070   0.40000   0.00659
Al(4)   0.75013   0.75013   0.25328   1.00000   0.00443
Al(5)   0.12488   0.12488   0.12488   1.00000   0.00279
Fe(6)   0.53153   0.53153   0.53153   0.50000   0.00494
Zn(6)   0.53153   0.53153   0.53153   0.40000   0.00494
Al(6)   0.53153   0.53153   0.53153   0.10000   0.00494
Fe(7)   0.22047   0.22047   0.22047   0.50000   0.00836
Zn(7)   0.22047   0.22047   0.22047   0.30000   0.00836
Al(7)   0.22047   0.22047   0.22047   0.20000   0.00836
Al(8)   0.00000   0.00000   0.50000   1.00000   0.00418
O(1)   0.15580   0.15580   0.62570   1.00000   0.01191
O-H(2)   0.35040   0.35040   0.35040   1.00000   0.01153
O(3)   0.44200   0.44200   0.92130   1.00000   0.01241
O(4)   0.06440   0.06440   0.06440   1.00000   0.01115
O(5)   0.04390   0.04390   0.60260   1.00000   0.01039
O(6)   0.56660   0.56660   0.56660   1.00000   0.00329
O(7)   0.70560   0.70560   0.14670   1.00000   0.01229
O(8)   0.18440   0.18440   0.18440   1.00000   0.00912