#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014107.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_9014107
loop_
_publ_author_name
'Atencio, D.'
'Chukanov, N. V.'
'Nestola, F.'
'Witzke, T.'
'Coutinho, J. M. V.'
'Zadov, A. E.'
'Contreira, R. R.'
'Farber, G.'
_publ_section_title
;
 Mejillonesite, a new acid sodium, magnesium phosphate mineral,
 from Mejillones, Antofagasta, Chile
;
_journal_name_full               'American Mineralogist'
_journal_page_first              19
_journal_page_last               25
_journal_paper_doi               10.2138/am.2012.3867
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Mejillones, Antofagasta, Chile'
_chemical_formula_sum            'H7 Mg2 Na O11 P2'
_chemical_name_mineral           Mejillonesite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.295
_cell_length_b                   13.009
_cell_length_c                   8.434
_cell_volume                     1787.853
_database_code_amcsd             0018764
_exptl_crystal_density_diffrn    2.352
_cod_original_formula_sum        'Na Mg2 P2 O11 H7'
_cod_database_code               9014107
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.03220 0.88390 0.93410 0.02180
Mg1 0.24340 0.88320 0.94810 0.01280
Mg2 0.24370 0.88810 0.33900 0.01270
P1 0.13820 0.05340 0.14270 0.00970
P2 0.14320 0.78760 0.64630 0.01000
O11 0.19330 0.02970 0.29030 0.01540
O12 0.11800 0.17030 0.13610 0.01650
O13 0.18700 0.02430 0.99020 0.01800
O14 0.05850 0.99100 0.15070 0.02250
O21 0.19300 0.81300 0.14330 0.01800
O22 0.15990 0.64250 0.00800 0.02220
O23 0.15020 0.84200 0.80540 0.02060
O-H24 0.04750 0.74510 0.12630 0.02380
Ow 0.98970 0.87480 0.34940 0.03270
OZ1 0.18660 0.24920 0.88950 0.02000
OZ2 0.17010 0.42910 0.13470 0.02210
H1 0.17300 0.48600 0.82100 0.05300
H2 0.16000 0.24900 0.17900 0.04400
H3 0.13500 0.44800 0.06800 0.05300
H4 0.00500 0.60400 0.96400 0.02400
H5 0.14200 0.21200 0.95900 0.05200
H6 0.00000 0.82000 0.31900 0.05500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018764