#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015315.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_9015315
loop_
_publ_author_name
'Skoda, R.'
'Cempirek, J.'
'Filip, J.'
'Novak, M.'
'Veselovsky, F.'
'Ctvrtlik, R.'
_publ_section_title
;
 Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden
;
_journal_name_full               'American Mineralogist'
_journal_page_first              983
_journal_page_last               988
_journal_paper_doi               10.2138/am.2012.3936
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Askagen pegmatite, Varmland, Sweden'
_chemical_formula_sum
'Al2.036 Ca1.16 Fe0.964 H Mn0.128 Nd0.712 O13 Si3'
_chemical_name_mineral           Allanite-(Nd)
_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                 115.166
_cell_angle_gamma                90
_cell_length_a                   8.8897
_cell_length_b                   5.7308
_cell_length_c                   10.1010
_cell_formula_units_Z            2
_cell_volume                     465.751
_database_code_amcsd             0018878
_exptl_crystal_density_diffrn    3.981
_cod_original_formula_sum
'Ca1.16 Mn.128 Nd.712 Al2.036 Fe.964 Si3 O13 H'
_cod_database_code               9015315
loop_
_space_group_symop_operation_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
Ca1 0.75598 0.75000 0.14977 0.87200 0.01660
Mn1 0.75598 0.75000 0.14977 0.12800 0.01660
Nd2 0.59422 0.75000 0.43015 0.71200 0.01612
Ca2 0.59422 0.75000 0.43015 0.28800 0.01612
Al1 0.00000 0.00000 0.00000 0.86700 0.01110
Fe1 0.00000 0.00000 0.00000 0.13300 0.01110
Al2 0.00000 0.00000 0.50000 1.00000 0.01090
Fe3 0.30158 0.25000 0.21539 0.83100 0.01370
Al3 0.30158 0.25000 0.21539 0.16900 0.01370
Si1 0.33821 0.75000 0.03982 1.00000 0.01190
Si2 0.68558 0.25000 0.27747 1.00000 0.01230
Si3 0.18939 0.75000 0.32483 1.00000 0.01150
O1 0.23180 0.98880 0.02670 1.00000 0.01630
O2 0.31530 0.97250 0.36860 1.00000 0.01750
O3 0.79700 0.01480 0.33600 1.00000 0.01760
O4 0.05620 0.25000 0.12960 1.00000 0.01420
O5 0.05070 0.75000 0.15110 1.00000 0.01440
O6 0.06820 0.75000 0.41160 1.00000 0.01330
O7 0.50900 0.75000 0.18370 1.00000 0.01860
O8 0.54030 0.25000 0.32920 1.00000 0.02500
O9 0.60960 0.25000 0.09820 1.00000 0.02010
O10 0.08740 0.25000 0.42970 1.00000 0.01500
H10 0.07200 0.25000 0.33900 1.00000 0.02900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018878
