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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004266.cif $
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#
# 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_9004266
loop_
_publ_author_name
'Basso, R.'
'Lucchetti, G.'
'Zefiro, L.'
'Palenzona, A.'
_publ_section_title
;
 Mozartite, CaMn(OH)SiO4, a new mineral species from the Cerchiara Mine,
 Northern Apennines, Italy
 Locality: Cerchiara Mine, Northern Apennines, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              331
_journal_page_last               336
_journal_volume                  31
_journal_year                    1993
_chemical_formula_sum            'Al0.06 Ca Mn0.94 O5 Si'
_chemical_name_mineral           Mozartite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.838
_cell_length_b                   7.224
_cell_length_c                   8.690
_cell_volume                     366.490
_exptl_crystal_density_diffrn    3.651
_[local]_cod_chemical_formula_sum_orig 'Ca (Mn.94 Al.06) Si O5'
_cod_database_code               9004266
_amcsd_database_code             AMCSD#0005259
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
Ca 0.02160 0.37480 0.67410 1.00000 0.00720
Mn 0.74680 0.25700 0.99640 0.94000 0.00430
Al 0.74680 0.25700 0.99640 0.06000 0.00430
Si 0.51030 0.63070 0.81640 1.00000 0.00540
O1 0.49130 0.45340 0.93360 1.00000 0.00600
O2 0.57160 0.79950 0.93970 1.00000 0.00850
O3 0.27290 0.65860 0.72180 1.00000 0.00620
O4 0.73880 0.62340 0.70680 1.00000 0.00700
O5 0.00330 0.39430 0.94140 1.00000 0.00560