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#$Date: 2017-09-03 01:31:07 +0200 (Sun 03 de Sep de 2017) $
#$Revision: 200138 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/81/1008164.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_1008164
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 - β'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.20(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.514(1)
_cell_length_b                   6.107(1)
_cell_length_c                   9.526(1)
_cell_volume                     395.5
_refine_ls_R_factor_all          0.045
_cod_database_code               1008164
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-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 e 0.384(1) 0.582(1) 0.288(1) 1. 0 d
V1 V5+ 4 e 0.196(6) 0.234(4) 0.403(5) 1. 0 d
O1 O2- 4 e 0.274(10) 0.269(11) 0.015(8) 1. 0 d
O2 O2- 4 e 0.25(1) 0.706(11) 0.003(8) 1. 0 d
O3 O2- 4 e 0.324(8) 0.96(1) 0.268(8) 1. 0 d
O4 O2- 4 e 0.058(8) 0.545(8) 0.218(6) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
V5+ 5.000
O2- -2.000
