#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/01/9010138.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_9010138
loop_
_publ_author_name
'Atencio, D.'
'Coutinho, J. M. V.'
'Mascarenhas, Y. P.'
'Ellena, J. A.'
_publ_section_title
;Matioliite, the Mg-analogue of burangaite, from Gentil mine, Mendes Pimentel,
 Minas Gerais, Brazil, and other occurrences Locality: Gentil mine, Mendes
 Pimentel, Minas Gerais, Brazil Sample: T = 120 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1932
_journal_page_last               1936
_journal_paper_doi               10.2138/am.2006.2233
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source
'Gentil mine, Mendes Pimentel, Minas Gerais, Brazil'
_chemical_formula_sum            'Al5 Fe0.1 H10 Mg0.9 Na O24 P4'
_chemical_name_mineral           Matioliite
_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                 110.97
_cell_angle_gamma                90
_cell_length_a                   25.075
_cell_length_b                   5.0470
_cell_length_c                   13.4370
_cell_formula_units_Z            4
_cell_volume                     1587.872
_database_code_amcsd             0004259
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    2.942
_cod_original_formula_sum        'Na (Mg.9 Fe.1) Al5 P4 O24 H10'
_cod_database_code               9010138
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na 0.00000 0.64880 0.25000 1.00000 0.02900
Mg 0.25000 0.75000 0.50000 0.90000 0.01900
Fe 0.25000 0.75000 0.50000 0.10000 0.03100
Al1 0.00000 0.50000 0.50000 1.00000 0.02200
Al3 0.15180 0.48270 0.60990 1.00000 0.02200
Al4 0.14120 0.72340 0.35180 1.00000 0.02000
P1 0.21610 0.23410 0.32810 1.00000 0.02000
P2 0.08070 0.22450 0.39510 1.00000 0.02100
O1 0.09180 0.44500 0.32700 1.00000 0.02500
O2 0.08050 0.95590 0.34220 1.00000 0.02300
O3 0.02130 0.27660 0.40180 1.00000 0.02500
O4 0.12580 0.22150 0.50730 1.00000 0.02400
O5 0.16830 0.71540 0.50980 1.00000 0.02200
O6 0.20870 0.49480 0.38140 1.00000 0.02300
O7 0.19720 0.00020 0.38260 1.00000 0.02300
O8 0.12940 0.74810 0.20540 1.00000 0.02300
O9 0.17560 0.24400 0.21130 1.00000 0.02400
O10 0.27750 0.19040 0.34110 1.00000 0.02600
O11 0.07480 0.62820 0.56450 1.00000 0.02500
O12 -0.02140 0.77810 0.39720 1.00000 0.02600
H5 0.16270 0.81430 0.54530 1.00000 0.03300
H8 0.14170 0.86470 0.19730 1.00000 0.03400
H11 0.07230 0.72900 0.60160 1.00000 0.03800
H12A -0.01090 0.91880 0.38950 1.00000 0.03800
H12B -0.06180 0.76430 0.35880 1.00000 0.03800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004259
