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#$Date: 2015-10-15 01:03:50 +0300 (Thu, 15 Oct 2015) $
#$Revision: 169080 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539969.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_1539969
loop_
_publ_author_name
'Yakubovich, O.V.'
'Anan'eva, E.N.'
'Dimitrova, O.V.'
_publ_section_title
;
 Crystal structure of the solid solution Mn2 (Px V1-x) (Vy P1-y) O7
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              586
_journal_page_last               591
_journal_volume                  26
_journal_year                    2000
_chemical_formula_sum            'Mn2 O7 P1.09 V0.91'
_chemical_name_systematic        'Mn2 P1.09 V0.91 O7'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.07
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.794
_cell_length_b                   8.621
_cell_length_c                   4.271
_cell_volume                     242.652
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Yakubovich_KOKHDC_2000_519.cif
_cod_data_source_block           Mn2O7P1.09V0.91
_cod_original_cell_volume        242.6522
_cod_database_code               1539969
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mn1 Mn+2 0.4882 0.30831 0.3063 1 0.0
V1 V+5 0.2654 0 0.9015 0.204 0.0
O4 O-2 0.8676 0 0.0315 1 0.0
V2 V+5 0.7062 0 0.717 0.706 0.0
O3 O-2 0.0968 0 0.6067 1 0.0
P1 P+5 0.2654 0 0.9015 0.796 0.0
O5 O-2 0.485 0 0.838 1 0.0
O2 O-2 0.2591 0.1497 0.0907 1 0.0
O1 O-2 0.7218 0.156 0.5289 1 0.0
P2 P+5 0.7062 0 0.717 0.294 0.0
