#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/50/9005040.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_9005040
loop_
_publ_author_name
'Orlandi, P.'
'Pasero, M.'
'Vezzalini, G.'
_publ_section_title
;
 Calcio-ancylite-(Nd), a new REE-carbonate from Baveno, Italy
 Locality: Baveno, Italy
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              413
_journal_page_last               418
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum
'C4 Ca1.263 Ce0.626 Dy0.068 Gd0.273 La0.137 Nd0.879 O16 Pr0.147 Sm0.324 Tm0.029 Y0.254'
_chemical_name_mineral           Calcioancylite-(Nd)
_symmetry_space_group_name_H-M   'P m 1 1'
_cell_angle_alpha                90.04
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.976
_cell_length_b                   8.468
_cell_length_c                   7.212
_cell_volume                     303.890
_exptl_crystal_density_diffrn    4.038
_[local]_cod_chemical_formula_sum_orig
'Nd.879 Ce.626 Sm.324 Gd.273 Y.254 Pr.147 La.137 Dy.068 Tm.029 Ca1.263 C4 O16'
_cod_database_code               9005040
_amcsd_database_code             AMCSD#0006327
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-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
NdM1 0.25000 0.33990 0.35240 0.22500 0.01320
CeM1 0.25000 0.33990 0.35240 0.16000 0.01320
SmM1 0.25000 0.33990 0.35240 0.08300 0.01320
GdM1 0.25000 0.33990 0.35240 0.07000 0.01320
YM1 0.25000 0.33990 0.35240 0.06500 0.01320
PrM1 0.25000 0.33990 0.35240 0.03700 0.01320
LaM1 0.25000 0.33990 0.35240 0.03500 0.01320
DyM1 0.25000 0.33990 0.35240 0.01700 0.01320
TmM1 0.25000 0.33990 0.35240 0.00700 0.01320
CaM1 0.25000 0.33990 0.35240 0.30000 0.01320
NdM2 0.25000 0.16770 0.85170 0.13000 0.01490
CeM2 0.25000 0.16770 0.85170 0.09200 0.01490
SmM2 0.25000 0.16770 0.85170 0.04800 0.01490
GdM2 0.25000 0.16770 0.85170 0.04000 0.01490
YM2 0.25000 0.16770 0.85170 0.03700 0.01490
PrM2 0.25000 0.16770 0.85170 0.02200 0.01490
LaM2 0.25000 0.16770 0.85170 0.02000 0.01490
DyM2 0.25000 0.16770 0.85170 0.01000 0.01490
TmM2 0.25000 0.16770 0.85170 0.00400 0.01490
CaM2 0.25000 0.16770 0.85170 0.59600 0.01490
NdM3 0.75000 0.66090 0.64480 0.20300 0.01020
CeM3 0.75000 0.66090 0.64480 0.14500 0.01020
SmM3 0.75000 0.66090 0.64480 0.07500 0.01020
GdM3 0.75000 0.66090 0.64480 0.06300 0.01020
YM3 0.75000 0.66090 0.64480 0.05900 0.01020
PrM3 0.75000 0.66090 0.64480 0.03400 0.01020
LaM3 0.75000 0.66090 0.64480 0.03200 0.01020
DyM3 0.75000 0.66090 0.64480 0.01600 0.01020
TmM3 0.75000 0.66090 0.64480 0.00700 0.01020
CaM3 0.75000 0.66090 0.64480 0.36700 0.01020
NdM4 0.75000 0.84400 0.14450 0.32100 0.00820
CeM4 0.75000 0.84400 0.14450 0.22900 0.00820
SmM4 0.75000 0.84400 0.14450 0.11800 0.00820
GdM4 0.75000 0.84400 0.14450 0.10000 0.00820
YM4 0.75000 0.84400 0.14450 0.09300 0.00820
PrM4 0.75000 0.84400 0.14450 0.05400 0.00820
LaM4 0.75000 0.84400 0.14450 0.05000 0.00820
DyM4 0.75000 0.84400 0.14450 0.02500 0.00820
TmM4 0.75000 0.84400 0.14450 0.01100 0.00820
C1 0.75000 0.19100 0.17700 1.00000 0.01700
C2 0.75000 0.31200 0.69900 1.00000 0.01700
C3 0.25000 0.81700 0.80500 1.00000 0.00700
C4 0.25000 0.68700 0.31400 1.00000 0.01100
O11 0.75000 0.32500 0.27200 1.00000 0.01200
O12 0.75000 0.19400 0.79000 1.00000 0.00800
O13 0.25000 0.69500 0.70500 1.00000 0.03300
O14 0.25000 0.83100 0.24100 1.00000 0.02800
O21 0.52900 0.12500 0.14300 1.00000 0.01500
O22 0.52000 0.38300 0.64900 1.00000 0.01800
O23 0.48000 0.88500 0.84700 1.00000 0.02300
O24 0.47300 0.62200 0.35300 1.00000 0.02100
O31 0.25000 0.41200 0.03600 1.00000 0.02300
O32 0.25000 0.08200 0.52600 1.00000 0.01600
O33 0.75000 0.59000 0.98100 1.00000 0.02000
O34 0.75000 0.89900 0.46300 1.00000 0.01500