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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/42/9004290.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9004290
loop_
_publ_author_name
'Evans, H. T.'
'Post, J. E.'
'Ross, D. R.'
'Nelen, J. A.'
_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
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              339
_journal_page_last               351
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Ca0.72 O5 V2'
_chemical_name_mineral           Fernandinite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.00
_cell_angle_gamma                90
_cell_length_a                   11.680
_cell_length_b                   3.6537
_cell_length_c                   11.023
_cell_volume                     454.380
_exptl_crystal_density_diffrn    3.081
_[local]_cod_chemical_formula_sum_orig 'V2 Ca.72 O5'
_cod_database_code               9004290
_amcsd_database_code             AMCSD#0005323
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_U_iso_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