#------------------------------------------------------------------------------
#$Date: 2019-01-12 03:09:51 +0200 (Sat, 12 Jan 2019) $
#$Revision: 213015 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/04/1550464.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_1550464
loop_
_publ_author_name
'Gake, T.'
'Matsushita, S.'
'Arai, M.'
'Obata, K.'
_publ_section_title
;
 Electronic structures and optical properties of CuMgVO4 and AgMgVO4: a
 first-principles study
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              50
_journal_page_last               55
_journal_volume                  127
_journal_year                    2019
_chemical_formula_sum            'Ag Mg O5 V'
_chemical_name_common            AgMgVO4
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.53140
_cell_length_b                   6.76960
_cell_length_c                   5.36180
_cell_volume                     345.964
_cod_data_source_file            AgMgVO4.cif
_cod_data_source_block           AgMgVO4
_cod_original_formula_sum        'Ag Mg V O5'
_cod_database_code               1550464
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x, y+1/2, -z'
'x, -y+1/2, z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Ag 1.0 0.151900 0.750000 0.498600 Biso 1.000000 Ag
Mg 1.0 0.500000 0.000000 0.500000 Biso 1.000000 Mg
V 1.0 0.178400 0.250000 0.524100 Biso 1.000000 V
O1 1.0 0.365300 0.250000 0.560400 Biso 1.000000 O
O2 1.0 0.115900 0.250000 0.215200 Biso 1.000000 O
O3 1.0 0.114500 0.448700 0.683800 Biso 1.000000 O
