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#$Date: 2017-09-03 02:31:07 +0300 (Sun, 03 Sep 2017) $
#$Revision: 200138 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/81/1008163.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_1008163
loop_
_publ_author_name
'Garnier, P.'
'Calvarin, G.'
'Berar, J. F.'
'Weigel, D.'
_publ_section_title
;
 Etude des Phases Ferroelastiques de Pb₃V₂O₈: Determination de la
 Maille Cristalline de la Phase α Ferroelectrique Basse Temperature
;
_journal_coden_ASTM              MRBUAC
_journal_issue                   4
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              407
_journal_page_last               414
_journal_paper_doi               10.1016/0025-5408(84)90099-0
_journal_volume                  19
_journal_year                    1984
_chemical_formula_structural     'Pb3 V2 O8'
_chemical_formula_sum            'O8 Pb3 V2'
_chemical_name_systematic        'Trilead vanadate - α'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'A 2y'
_symmetry_space_group_name_H-M   'A 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.63(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.460(1)
_cell_length_b                   6.191(1)
_cell_length_c                   9.348(1)
_cell_volume                     385.9
_refine_ls_R_factor_all          0.04
_cod_database_code               1008163
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x,1/2+y,1/2+z
-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Pb1 Pb2+ 2 a 0. 0. 0. 1. 0 d
Pb2 Pb2+ 4 c 0.387(1) 0.551(2) 0.281(2) 1. 0 d
V1 V5+ 4 c 0.210(5) 0.024(10) 0.409(5) 1. 0 d
O1 O2- 4 c 0.252(15) 0.309(14) 0.057(11) 1. 0 d
O2 O2- 4 c 0.270(13) 0.703(14) 0.018(9) 1. 0 d
O3 O2- 4 c 0.307(11) 0.951(10) 0.291(9) 1. 0 d
O4 O2- 4 c 0.041(8) 0.484(12) 0.237(7) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
V5+ 5.000
O2- -2.000
