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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106845.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_2106845
loop_
_publ_author_name
'Bouloux, J.C.'
'Galy, J.'
_publ_section_title
;
 Structure cristalline de l'hypovanadate Ca V4 O9
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1335
_journal_page_last               1338
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Ca O9 V4'
_chemical_name_systematic        'Ca (V4 O9)'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.333
_cell_length_b                   8.333
_cell_length_c                   5.008
_cell_volume                     347.750
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bouloux_ACBCAR_1973_800.cif
_cod_data_source_block           Ca1O9V4
_cod_original_cell_volume        347.75
_cod_original_formula_sum        'Ca1 O9 V4'
_cod_database_code               2106845
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-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
O2 O-2 0.177 0.499 0.939 1 0.0
Ca1 Ca+2 0.25 0.25 0.1674 1 0.0
V1 V+4 0.1584 0.5366 0.6256 1 0.0
O3 O-2 0.25 0.75 0.5 1 0.0
O1 O-2 0.044 0.357 0.464 1 0.0
