#------------------------------------------------------------------------------
#$Date: 2015-07-13 22:27:19 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150967 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310592.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310592
loop_
_publ_author_name
'Hanson, A.W.'
_publ_section_title
;
 The crystal structure of nolanite
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              703
_journal_page_last               709
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'Fe2.5 O16 V7.11'
_chemical_name_systematic        'Fe2.5 V7.11 O16'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.854
_cell_length_b                   5.854
_cell_length_c                   9.295
_cell_volume                     275.858
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Hanson_ACCRA9_1958_272.cif
_cod_data_source_block           Fe2.5O16V7.11
_cod_original_cell_volume        275.8579
_cod_database_code               2310592
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0 0 0.002 1 0.0
V1 V+4 0.1667 -0.1667 0.637 0.935 0.0
V2 V+3 0.3333 0.6667 0.3552 0.22 0.0
Fe1 Fe+2 0.3333 0.6667 0.3552 0.78 0.0
V3 V+3 0.3333 0.6667 0.9546 0.53 0.0
Fe2 Fe+2 0.3333 0.6667 0.9546 0.47 0.0
O4 O-2 -0.485 0.485 0 1 0.0
O3 O-2 0.167 -0.167 0.248 1 0.0
O2 O-2 0.3333 0.6667 0.75 1 0.0
