#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002341.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9002341
loop_
_publ_author_name
'Callegari A'
'Caucia F'
'Mazzi F'
'Oberti R'
'Ottolini L'
'Ungaretti L'
_publ_section_title
;
 The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like
 borate with square-pyramidal coordination for Al
 Sample: Pep2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              586
_journal_page_last               593
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al2 B4 La0.785 O10.667 Th0.215'
_[local]_cod_chemical_formula_sum_orig '(La.785 Th.215) Al2 B4 O10.667'
_chemical_name_mineral           Peprossiite-(Ce)
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.596
_cell_length_b                   4.596
_cell_length_c                   9.309
_cell_volume                     170.292
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,z
-x+y,-x,-z
y,x,-z
-y,x-y,z
x-y,-y,z
x,y,-z
-x,-x+y,-z
-x+y,-x,z
y,x,z
-y,x-y,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
LaM2 0.00000 0.00000 0.00000 0.78500
ThM2 0.00000 0.00000 0.00000 0.21500
AlM1 0.38890 0.00000 0.50000 0.66667
BT 0.33333 0.66667 0.21960 1.00000
O1 0.33333 0.66667 0.37440 1.00000
O2 0.41800 0.00000 0.15920 1.00000
O3 0.00000 0.00000 0.50000 0.66667
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
LaM2 0.00840 0.00840 0.00860 0.00420 0.00000 0.00000
ThM2 0.00840 0.00840 0.00860 0.00420 0.00000 0.00000
AlM1 0.00560 0.00440 0.00960 0.00220 0.00000 0.00000
BT 0.00520 0.00520 0.00820 0.00260 0.00000 0.00000
O1 0.00900 0.00900 0.00780 0.00450 0.00000 0.00000
O2 0.01010 0.00340 0.01490 0.00170 -0.00200 0.00000
O3 0.00300 0.00300 0.01410 0.00150 0.00000 0.00000
_cod_database_code 9002341