#------------------------------------------------------------------------------
#$Date: 2016-11-19 00:07:45 +0200 (Sat, 19 Nov 2016) $
#$Revision: 188566 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/46/1544622.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_1544622
loop_
_publ_author_name
'Nishio-Hamane, D.'
'Tomita, N.'
'Minakawa, T.'
'Inaba, S.'
_publ_section_title
;
 Iseite, Mn2Mo3O8, a new mineral from Ise, Mie Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              37
_journal_page_last               41
_journal_volume                  108
_journal_year                    2013
_chemical_formula_sum            'Fe0.193 Mn1.787 Mo3.01 O8'
_chemical_name_common            'iseite Mn2Mo3O8'
_chemical_name_mineral           iseite
_space_group_IT_number           186
_space_group_name_H-M_alt        'P 63 m c'
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.8052(3)
_cell_length_b                   5.8052(3)
_cell_length_c                   10.2277(8)
_cell_volume                     298.50(3)
_cod_data_source_file            lseite.cif
_cod_data_source_block           topaz
_cod_original_formula_sum        'Mn1.787 Fe0.193 Mo3.01 O8'
_cod_database_code               1544622
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z+1/2'
'x-y, -y, z+1/2'
'-x, -x+y, 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_U_iso_or_equiv
_atom_site_type_symbol
Mn1 0.9000 0.333333 0.666667 0.9547(9) Uiso 1.000000 Mn
Mn1 0.1000 0.333333 0.666667 0.9547(9) Uiso 1.000000 Fe
Mn2 0.9000 0.333333 0.666667 0.5203(8) Uiso 1.000000 Mn
Mn2 0.1000 0.333333 0.666667 0.5203(8) Uiso 1.000000 Fe
Mo1 1.0 0.1463(4) -0.1463(4) 0.250000 Uiso 1.000000 Mo
O1 1.0 0.000000 0.000000 0.400(2) Uiso 1.000000 O
O2 1.0 0.333333 0.666667 0.142(2) Uiso 1.000000 O
O3 1.0 0.4790(10) -0.4790(10) 0.3710(10) Uiso 1.000000 O
O4 1.0 0.1630(10) -0.1630(10) 0.6400(10) Uiso 1.000000 O
