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#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/04/2000419.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_2000419
loop_
_publ_author_name
'Grandin, A.'
'Chardon, J.'
'Borel, M. M.'
'Leclaire, A.'
'Raveau, B.'
_publ_section_title
;
 Structure of PbV₂P₂O₁₀
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1913
_journal_page_last               1915
_journal_paper_doi               10.1107/S0108270192002300
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'O10 P2 Pb V2'
_chemical_formula_weight         531.01
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.010(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2306(4)
_cell_length_b                   8.5805(9)
_cell_length_c                   16.7900(10)
_cell_volume                     753.40(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    25.3
_exptl_crystal_density_diffrn    4.68
_exptl_crystal_F_000             952
_cod_data_source_file            du0336.cif
_cod_data_source_block           du0336a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'O10 P2 Pb1 V2'
_cod_database_code               2000419
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb .06382(7) .19558(4) .18163(2) .882(4)
V(1) .1397(3) .8454(2) .06649(8) .47(2)
V(2) .4587(3) .0373(2) .34912(8) .42(2)
P(1) .3617(4) .2756(2) .01960(10) .40(3)
P(2) .3721(4) .4171(2) .32170(10) .30(3)
O(1) .1730(10) .6798(8) .1102(4) .90(10)
O(2) -.1180(10) .8289(8) -.0232(3) .70(10)
O(3) -.1440(10) .9498(8) .1260(4) .80(10)
O(4) .3990(10) .8235(8) -.0135(4) .80(10)
O(5) .3720(10) .9689(8) .1392(4) .71(9)
O(6) .2120(10) -.0518(8) .3143(4) 1.10(10)
O(7) .3810(10) .2442(8) .2998(4) .70(9)
O(8) .6800(10) .0117(8) .2544(4) .63(9)
O(9) .6400(10) -.1430(8) .3978(4) .76(9)
O(10) .3390(10) .1071(8) .4520(4) .81(9)
_cod_duplicate_entry 1001534
