#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/17/2201756.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_2201756
loop_
_publ_author_name
'Kolitsch, Uwe'
'Maczka, Miroslaw'
'Hanuza, Jerzy'
_publ_section_title
;
NaAl(MoO₄)₂: a rare structure type among layered yavapaiite-related
AM(XO₄)₂ compounds
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i10
_journal_page_last               i13
_journal_paper_doi               10.1107/S1600536803000990
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'Na Al (Mo O4)2'
_chemical_formula_structural     'Na Al (Mo O4)2'
_chemical_formula_sum            'Al Mo2 Na O8'
_chemical_formula_weight         369.85
_chemical_name_common            'sodium aluminum molybdate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.01(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.621(2)
_cell_length_b                   5.3390(10)
_cell_length_c                   13.146(3)
_cell_measurement_temperature    293(2)
_cell_volume                     675.3(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.638
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2201756
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Na 0.0000 -0.0685(3) 0.2500 0.0232(3) Uani d S 1 . . Na
Al 0.0000 0.0000 0.0000 0.00759(17) Uani d S 1 . . Al
Mo 0.169680(14) 0.46923(3) 0.122124(11) 0.00768(9) Uani d . 1 . . Mo
O1 0.08830(14) 0.7070(3) 0.05141(11) 0.0160(3) Uani d . 1 . . O
O2 0.34454(14) 0.4289(3) 0.08134(11) 0.0156(3) Uani d . 1 . . O
O3 0.07332(13) 0.1828(3) 0.11055(10) 0.0128(3) Uani d . 1 . . O
O4 0.16751(19) 0.5629(3) 0.24701(12) 0.0204(3) Uani d . 1 . . O
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Na O3 2 2.3789(16) yes
Na O3 . 2.3789(16) ?
Na O4 2_545 2.5440(19) yes
Na O4 1_545 2.5440(19) ?
Na O2 4_545 2.6744(17) yes
Na O2 3_445 2.6744(17) ?
Na O1 1_545 2.9957(17) yes
Na O1 2_545 2.9957(17) ?
Na Al 2 3.3068(8) ?
Na Al . 3.3068(8) ?
Na Mo 1_545 3.4035(11) ?
Na Mo 2_545 3.4035(11) ?
Al O2 7 1.8776(14) yes
Al O2 3_445 1.8776(14) ?
Al O3 5 1.8874(13) yes
Al O3 . 1.8874(13) ?
Al O1 1_545 1.9040(13) yes
Al O1 5_565 1.9040(13) ?
Al Na 5 3.3068(8) ?
Mo O4 . 1.7164(17) yes
Mo O1 . 1.7575(14) yes
Mo O2 . 1.7789(14) yes
Mo O3 . 1.7946(14) yes
Mo Na 1_565 3.4035(11) ?
Mo Na 3 3.6006(10) ?
O1 Al 1_565 1.9040(13) ?
O1 Na 1_565 2.9957(17) ?
O2 Al 3 1.8776(14) ?
O2 Na 3 2.6744(17) ?
O4 Na 1_565 2.5440(19) ?
