#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007937.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007937
loop_
_publ_author_name
'Kolitsch, U.'
'Macka, M.'
'Hanuza, J.'
_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_structural     NaAl(MoO4)2
_chemical_formula_sum            'Al Mo2 Na O8'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.01
_cell_angle_gamma                90
_cell_length_a                   9.621
_cell_length_b                   5.3390
_cell_length_c                   13.146
_cell_formula_units_Z            4
_cell_volume                     675.264
_database_code_amcsd             0010395
_exptl_crystal_density_diffrn    3.638
_cod_original_formula_sum        'Na Al Mo2 O8'
_cod_database_code               9007937
_amcsd_formula_title             NaAl(MoO4)2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.03290 0.02050 0.01640 0.00000 0.00500 0.00000
Al 0.00600 0.00780 0.00890 -0.00010 -0.00060 0.00080
Mo 0.00691 0.00757 0.00857 -0.00013 0.00015 0.00000
O1 0.01410 0.01040 0.02340 0.00140 -0.00370 0.00320
O2 0.00950 0.01810 0.01930 -0.00050 0.00340 0.00530
O3 0.01510 0.01040 0.01310 -0.00370 -0.00240 0.00030
O4 0.02490 0.02230 0.01390 -0.00010 -0.00080 -0.00590
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.00000 -0.06850 0.25000 0.02320
Al 0.00000 0.00000 0.00000 0.00759
Mo 0.16968 0.46923 0.12212 0.00768
O1 0.08830 0.70700 0.05141 0.01600
O2 0.34454 0.42890 0.08134 0.01560
O3 0.07332 0.18280 0.11055 0.01280
O4 0.16751 0.56290 0.24701 0.02040
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010395
