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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/97/9009705.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_9009705
loop_
_publ_author_name
'Rinaldi, R.'
_publ_section_title
;
 The crystal structure of griphite, a complex phosphate, not a garnetoid
 Locality: Alberes, East Pyrenees, France
;
_journal_name_full               'Bulletin de Mineralogie'
_journal_page_first              543
_journal_page_last               547
_journal_volume                  101
_journal_year                    1978
_chemical_formula_sum
'Al2.05 Ca1.42 F1.6 Fe1.08 H1.12 Li0.54 Mg0.06 Mn3.54 Na1.02 O24.4 P5.82'
_chemical_name_mineral           Griphite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.205
_cell_length_b                   12.205
_cell_length_c                   12.205
_cell_volume                     1818.082
_exptl_crystal_density_diffrn    3.646
_[local]_cod_cif_authors_sg_H-M  'P a 3'
_[local]_cod_chemical_formula_sum_orig
'Mn3.54 Na1.02 Li.54 Ca1.42 Fe1.08 Mg.06 Al2.05 P5.82 O24.4 F1.6 H1.12'
_cod_original_cell_volume        1818.081
_cod_database_code               9009705
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+z,x,1/2-y
z,1/2-x,1/2+y
1/2-z,1/2+x,y
-z,-x,-y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
x,1/2-y,1/2+z
1/2-x,1/2+y,z
1/2+x,y,1/2-z
-x,-y,-z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2-y,1/2+z,x
1/2+y,z,1/2-x
y,1/2-z,1/2+x
-y,-z,-x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+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
Mn 0.00570 0.12080 0.26080 0.59000 0.01688
Na 0.00570 0.12080 0.26080 0.17000 0.01688
Li 0.00570 0.12080 0.26080 0.09000 0.01688
Ca 0.00570 0.12080 0.26080 0.07000 0.01688
Fe2+ 0.00570 0.12080 0.26080 0.05000 0.01688
Mg 0.00570 0.12080 0.26080 0.01000 0.01688
Ca 0.00000 0.00000 0.00000 1.00000 0.01298
Fe2+ 0.50000 0.50000 0.50000 0.70000 0.01330
Al 0.50000 0.50000 0.50000 0.13000 0.01330
Al 0.28460 0.28460 0.28460 0.96000 0.01165
Fe3+ 0.28460 0.28460 0.28460 0.04000 0.01165
P 0.04030 0.35970 0.23520 0.97000 0.01216
O1 0.12760 0.28480 0.28760 0.97000 0.01482
O-H1 0.12760 0.28480 0.28760 0.03000 0.01482
O2 0.27850 0.44030 0.28280 0.97000 0.01596
O-H2 0.27850 0.44030 0.28280 0.03000 0.01596
O3 0.07820 0.39590 0.11940 0.97000 0.01798
O-H3 0.07820 0.39590 0.11940 0.03000 0.01798
O4 0.01710 0.46040 0.30360 0.97000 0.01976
O-H4 0.01710 0.46040 0.30360 0.03000 0.01976
F 0.11450 0.11450 0.11450 0.80000 0.02356
O-H 0.11450 0.11450 0.11450 0.20000 0.02356