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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/9/9005748.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_9005748
_chemical_name 'Stanekite'
loop_
_publ_author_name
'Keller P'
'Lissner F'
'Schleid T'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 18
_journal_year 2006
_journal_page_first 113
_journal_page_last 118
_publ_section_title
;
 The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimuku
 Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]
 Locality: Okatjimukuju, Karibib, Namibia
 Note: Uiso(O4) corrected
;
_chemical_formula_sum 'Fe1.1 Mn.81 P O5'
_cell_length_a 11.835
_cell_length_b 6.328
_cell_length_c 9.983
_cell_angle_alpha 90
_cell_angle_beta 105.81
_cell_angle_gamma 90
_cell_volume 719.363
_symmetry_space_group_name_H-M 'I 1 2/a 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Fe1   0.20327   0.01560   0.19583   0.48000   0.02780
Mn1   0.20327   0.01560   0.19583   0.49000   0.02780
Fe2   0.11265   0.13956   0.45334   0.62000   0.02170
Mn2   0.11265   0.13956   0.45334   0.32000   0.02170
P   0.07306   0.65435   0.37918   1.00000   0.01900
O1   0.05300   0.83810   0.47010   1.00000   0.02900
O2   0.45970   0.39600   0.26710   1.00000   0.02550
O3   0.17050   0.70640   0.31090   1.00000   0.03330
O4   0.11250   0.46400   0.47610   1.00000   0.02300
O5   0.26310   0.15650   0.37430   1.00000   0.03450