#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005092.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_9005092
loop_
_publ_author_name
'Bonazzi, P.'
'Garbarino, C.'
'Menchetti, S.'
_publ_section_title
;
 Crystal chemistry of piemontites: REE-bearing
 piemontite from Monte Brugiana, Alpi Apuane, Italy
 Sample: BR2H
 Locality: Monte Brugiana, Alpi Apuane, Italy
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              23
_journal_page_last               33
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum
'Al1.88 Ca1.73 Ce0.02 Fe0.51 H La0.02 Mg0.01 Mn0.81 Nd0.01 O13 Pr0.002 Si2.97 Sr0.04'
_chemical_name_mineral           Piemontite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.35
_cell_angle_gamma                90
_cell_length_a                   8.845
_cell_length_b                   5.668
_cell_length_c                   10.152
_cell_volume                     459.947
_exptl_crystal_density_diffrn    3.585
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_6048'
_[local]_cod_chemical_formula_sum_orig
'Ca1.73 Mn.81 Sr.04 La.02 Ce.02 Pr.002 Nd.01 Al1.88 Mg.01 Fe.51 Si2.97 O13 H'
_cod_database_code               9005092
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-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
CaA1 0.75500 0.75000 0.15110 0.86500 0.01030
MnA1 0.75500 0.75000 0.15110 0.20250 0.01030
CaA2 0.59850 0.75000 0.42540 0.86500 0.01350
SrA2 0.59850 0.75000 0.42540 0.04000 0.01350
LaA2 0.59850 0.75000 0.42540 0.02000 0.01350
CeA2 0.59850 0.75000 0.42540 0.02000 0.01350
PrA2 0.59850 0.75000 0.42540 0.00200 0.01350
NdA2 0.59850 0.75000 0.42540 0.01000 0.01350
AlM1 0.00000 0.00000 0.00000 0.62660 0.00690
MgM1 0.00000 0.00000 0.00000 0.00330 0.00690
MnM1 0.00000 0.00000 0.00000 0.20250 0.00690
FeM1 0.00000 0.00000 0.00000 0.17000 0.00690
AlM2 0.00000 0.00000 0.50000 0.62660 0.00570
MgM2 0.00000 0.00000 0.50000 0.00330 0.00570
MnM2 0.00000 0.00000 0.50000 0.20250 0.00570
FeM2 0.00000 0.00000 0.50000 0.17000 0.00570
AlM3 0.29770 0.25000 0.22260 0.62660 0.00710
MgM3 0.29770 0.25000 0.22260 0.00330 0.00710
MnM3 0.29770 0.25000 0.22260 0.20250 0.00710
FeM3 0.29770 0.25000 0.22260 0.17000 0.00710
Si1 0.34240 0.75000 0.04620 0.99000 0.00600
Si2 0.68650 0.25000 0.27330 0.99000 0.00630
Si3 0.18660 0.75000 0.32000 0.99000 0.00530
O1 0.23470 0.99250 0.03680 1.00000 0.01000
O2 0.30750 0.98030 0.35580 1.00000 0.00850
O3 0.79970 0.01600 0.33410 1.00000 0.01050
O4 0.05820 0.25000 0.13090 1.00000 0.00680
O5 0.04270 0.75000 0.14750 1.00000 0.00820
O6 0.07350 0.75000 0.41250 1.00000 0.00780
O7 0.51560 0.75000 0.18310 1.00000 0.01130
O8 0.53130 0.25000 0.31540 1.00000 0.01200
O9 0.61660 0.25000 0.09610 1.00000 0.01530
O10 0.08900 0.25000 0.43470 1.00000 0.00740
H 0.06900 0.25000 0.35700 1.00000 0.02000