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#$Date: 2017-11-26 03:15:18 +0200 (Sun, 26 Nov 2017) $
#$Revision: 203576 $
#$URL: file:///home/coder/svn-repositories/cod/cif/6/00/07/6000706.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_6000706
loop_
_publ_author_name
'Elbadraoui, A.'
'Pivan, J. Y.'
'Maunaye, M.'
'Louer, M.'
'Louer, D.'
_publ_section_title
;
 Hydrothermal synthesis, structure refinement and properties of the new
 vanadium(III) diphosphate H3OVP2O7
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              47
_journal_page_last               53
_journal_paper_doi               10.1016/S0925-8388(96)02482-6
_journal_volume                  245
_journal_year                    1996
_chemical_formula_sum            'H3 O8 P2 V'
_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                 105.86(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.519(2)
_cell_length_b                   10.054(3)
_cell_length_c                   8.244(3)
_cell_volume                     599.49
_cod_database_code               6000706
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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
V V 0.2378(8) 0.6015(4) 0.7590(6) 2.0(1)
P1 P 0.4302(9) 0.6297(7) 0.1857(9) 1.5(2)
P2 P 0.1332(9) 0.9054(7) 0.8343(9) 2.5(2)
O1 O 0.329(2) 0.945(1) 0.807(2) 1.7
O2 O 0.099(1) 0.743(1) 0.262(2) 0.4(2)
O3 O 0.626(1) 0.573(1) 0.222(2) 0.9(2)
O4 O 0.143(2) 0.592(1) 0.510(2) 0.4(2)
O5 O 0.314(2) 0.618(1) 0.008(1) 0.9(2)
O6 O 0.990(1) 0.492(1) 0.214(1) 0.4(2)
O7 O 0.450(1) 0.775(1) 0.243(1) 0.9(2)
O8 O 0.175(2) 0.308(1) 0.033(2) 3.9(4)