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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/67/1536756.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_1536756
loop_
_publ_author_name
'Klevtsova, R.F.'
'Vasil'ev, A.D.'
'Kozhevnikova, N.M.'
'Glinskaya, L.A.'
'Kruglik, A.I.'
'Kotova, I.Yu.'
_publ_section_title
;
 Synthesis and crystal structure study of a triple molybdate
 NaMg3In(MoO4)5
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              147
_journal_page_last               151
_journal_volume                  34
_journal_year                    1993
_chemical_formula_sum            'In Mg3 Mo5 Na O20'
_chemical_name_systematic        'Na Mg3 In (Mo O4)5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.65
_cell_angle_beta                 100.98
_cell_angle_gamma                92.51
_cell_formula_units_Z            2
_cell_length_a                   7.0476
_cell_length_b                   17.935
_cell_length_c                   6.9849
_cell_volume                     865.408
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Klevtsova_ZSTKAI_1993_1381.cif
_cod_data_source_block           In1Mg3Mo5Na1O20
_cod_original_cell_volume        865.4081
_cod_original_formula_sum        'In1 Mg3 Mo5 Na1 O20'
_cod_database_code               1536756
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Mg1 Mg+2 0.1962 0.2342 0.7474 0.75 0.0
Na1 Na+1 0.8383 0.2172 0.3671 0.5 0.0
O7 O-2 0.214 0.2363 0.0451 1 0.0
O9 O-2 0.363 0.0033 0.6202 1 0.0
O18 O-2 -0.1137 0.3753 0.4084 1 0.0
O10 O-2 0.2863 0.0039 0.0116 1 0.0
O16 O-2 0.4954 0.2326 0.7885 1 0.0
O5 O-2 0.1643 0.2305 0.4445 1 0.0
O17 O-2 -0.0405 0.3791 0.0225 1 0.0
Mo4 Mo+6 0.7219 0.1912 0.8199 1 0.0
Mo1 Mo+6 0.4393 0.4066 0.7725 1 0.0
Na2 Na+1 0.8278 0.1838 0.3896 0.5 0.0
Mg3 Mg+2 0.9219 0.3738 0.7207 0.75 0.0
O1 O-2 0.6205 0.3826 0.6422 1 0.0
O14 O-2 0.7978 0.1697 0.0613 1 0.0
Mo3 Mo+6 0.1899 0.0254 0.7697 1 0.0
O19 O-2 0.286 0.3908 0.3316 1 0.0
Mg2 Mg+2 0.3292 0.0072 0.3136 0.75 0.0
O20 O-2 0.034 0.5104 0.2501 1 0.0
In1 In+3 0.1962 0.2342 0.7474 0.25 0.0
Mo5 Mo+6 0.0448 0.414 0.2519 1 0.0
O3 O-2 0.5352 0.3973 0.0189 1 0.0
In4 In+3 0.5811 0.3836 0.3274 0.25 0.0
In2 In+3 0.3292 0.0072 0.3136 0.25 0.0
O11 O-2 -0.0323 -0.0237 0.7007 1 0.0
Mo2 Mo+6 0.3259 0.2144 0.2826 1 0.0
O15 O-2 0.7022 0.1108 0.6845 1 0.0
O4 O-2 0.3873 0.4984 0.7078 1 0.0
O8 O-2 0.386 0.121 0.2987 1 0.0
O13 O-2 0.8938 0.2559 0.7241 1 0.0
O12 O-2 0.1454 0.1204 0.7438 1 0.0
O6 O-2 0.5438 0.2679 0.3373 1 0.0
In3 In+3 0.9219 0.3738 0.7207 0.25 0.0
O2 O-2 0.2149 0.3516 0.7284 1 0.0
Mg4 Mg+2 0.5811 0.3836 0.3274 0.75 0.0