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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/1/53/57/1535741.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_1535741
loop_
_publ_author_name
'Murashova, E.V.'
'Velikodnyi, Yu.A.'
'Trunov, V.K.'
_publ_section_title
;
 Crystal structure of double pseudopyrovanadates PbM'V2O7 (M'=Mg,Zn)
;
_journal_name_full               Kristallografiya
_journal_page_first              617
_journal_page_last               621
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'O7 Pb V2 Zn'
_chemical_name_systematic        'Pb Zn V2 O7'
_space_group_IT_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                 99.51
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.911
_cell_length_b                   14.853
_cell_length_c                   11.338
_cell_volume                     1147.840
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Murashova_KRISAJ_1991_1131.cif
_cod_data_source_block           O7Pb1V2Zn1
_cod_original_cell_volume        1147.84
_cod_original_formula_sum        'O7 Pb1 V2 Zn1'
_cod_database_code               1535741
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
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_occupancy
_atom_site_U_iso_or_equiv
Zn1 Zn+2 0.3487 0.1723 0.4221 1 0.0
O2 O-2 0.311 0.245 0.779 1 0.0
V3 V+5 0.1301 -0.1381 0.519 1 0.0
O9 O-2 -0.039 -0.16 0.611 1 0.0
Pb2 Pb+2 0.9209 0.01317 0.7573 1 0.0
V2 V+5 0.4092 0.0135 0.6784 1 0.0
O10 O-2 0.033 -0.143 0.308 1 0.0
O8 O-2 0.284 -0.012 0.785 1 0.0
O5 O-2 0.39 0.117 0.588 1 0.0
O13 O-2 0.006 0.348 0.625 1 0.0
Pb1 Pb+2 0.6558 0.12688 0.0218 1 0.0
O3 O-2 0.344 0.284 0.541 1 0.0
V4 V+5 0.1509 0.3627 0.5198 1 0.0
O12 O-2 0.001 0.359 0.384 1 0.0
O14 O-2 0.238 0.465 0.542 1 0.0
O6 O-2 0.588 -0.06 0.671 1 0.0
Zn2 Zn+2 -0.0093 0.2537 0.2507 1 0.0
O7 O-2 0.222 -0.029 0.548 1 0.0
O1 O-2 0.574 0.103 0.782 1 0.0
O11 O-2 0.317 -0.209 0.543 1 0.0
O4 O-2 0.68 0.269 0.703 1 0.0
V1 V+5 0.4807 0.2027 0.6996 1 0.0
