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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/9/9004290.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_9004290
_chemical_name 'Fernandinite'
loop_
_publ_author_name
'Evans H T'
'Post J E'
'Ross D R'
'Nelen J A'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 32
_journal_year 1994
_journal_page_first 339
_journal_page_last 351
_publ_section_title
;
 The crystal structure and crystal chemistry of fernandinite and corvusite
 Minasragu, Peru, with general formula (Ca,Na,K)x(V,Fe,Ti)8O20.4H2O
 Locality: Minasragu, Peru
;
_chemical_formula_sum 'V2 Ca.72 O5'
_cell_length_a 11.680
_cell_length_b 3.6537
_cell_length_c 11.023
_cell_angle_alpha 90
_cell_angle_beta 105.00
_cell_angle_gamma 90
_cell_volume 454.380
_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
V1   0.80180   0.00000   0.13700   1.00000   0.01000
V2   0.09820   0.00000   0.13780   1.00000   0.01000
Ca1   0.06100   0.00000   0.50600   0.46000   0.02000
Ca2   0.56800   0.00000   0.47800   0.26000   0.02000
O1   0.94600   0.00000   0.09600   1.00000   0.01000
O2   0.84900   0.00000   0.28300   1.00000   0.01000
O3   0.62900   0.00000   0.12000   1.00000   0.01000
O4   0.27400   0.00000   0.10000   1.00000   0.01000
O5   0.11000   0.00000   0.28600   1.00000   0.01000