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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/2/10/60/2106028.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106028
loop_
_publ_author_name
'Bars, O.'
'Grandjean, D.'
'le Marouille, J.Y.'
_publ_section_title
;
 Etude de chromates, molybdates et tungstates hydrates, 1. Etude
 structurale de Mg Mo O4 (H2 O)5
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1155
_journal_page_last               1157
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'H10 Mg Mo O9'
_chemical_name_systematic        'Mg Mo O4 (H2 O)5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.44
_cell_angle_beta                 109.03
_cell_angle_gamma                90.31
_cell_formula_units_Z            2
_cell_length_a                   6.529
_cell_length_b                   10.706
_cell_length_c                   6.341
_cell_volume                     406.110
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bars_ACBCAR_1977_1801.cif
_cod_data_source_block           H10Mg1Mo1O9
_cod_original_cell_volume        406.1103
_cod_original_formula_sum        'H10 Mg1 Mo1 O9'
_cod_database_code               2106028
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
Mo1 Mo+6 0.1285 0.29801 0.6746 1 0.0
O8 O-2 0.7947 0.42 0.0219 1 0.0
O6 O-2 0.1489 0.0569 0.3057 1 0.0
O1 O-2 0.1474 0.1387 0.8375 1 0.0
O7 O-2 0.5087 0.3697 0.3069 1 0.0
O4 O-2 0.1337 0.2965 0.398 1 0.0
O3 O-2 0.8824 0.3734 0.6525 1 0.0
O9 O-2 0.4094 0.8879 0.7235 1 0.0
Mg2 Mg+2 0.5 0.5 0 1 0.0
Mg1 Mg+2 0 0 0 1 0.0
O5 O-2 0.7287 0.1258 0.9116 1 0.0
O2 O-2 0.3496 0.375 0.8154 1 0.0
