#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/77/9017734.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_9017734
loop_
_publ_author_name
'Lykova, I.'
'Rowe, R.'
'Poirier, G.'
'Helwig, K.'
'Friis, H.'
_publ_section_title
;
 Manganoarrojadite-(KNa), KNa5MnFe13Al(PO4)11(PO3OH)(OH)2, a new
 arrojadite-group mineral from the Palermo No. 1 mine, New Hampshire, USA
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  84
_journal_year                    2020
_chemical_compound_source        'Palermo No. 1 mine, New Hampshire, USA'
_chemical_formula_sum
'Al Ca0.12 Fe9.1 K0.874 Mg1.1 Mn3.68 Na4.752 O50 P12'
_chemical_name_mineral           Manganoarrojadite-(KNa)
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.891
_cell_angle_gamma                90
_cell_length_a                   16.5345
_cell_length_b                   10.04057
_cell_length_c                   24.6261
_cell_formula_units_Z            4
_cell_volume                     3932.084
_database_code_amcsd             0020956
_exptl_crystal_density_diffrn    3.520
_cod_data_source_file            inputs/fixed/downloads/18/18641.cif
_cod_data_source_block           18641
_cod_original_formula_sum
'K.874 Na4.752 Mn3.68 Ca.12 Fe9.1 Mg1.1 Al P12 O50'
_cod_database_code               9017734
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-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
K1 0.99862 0.50858 0.24413 0.87400 0.03520
Na1 0.00400 0.99770 0.99843 1.00000 0.02280
Na2 0.87360 0.48670 0.87784 1.00000 0.04430
Na3 0.29495 0.44590 0.04226 1.00000 0.02770
Na4 0.12151 0.51160 0.12095 1.00000 0.02210
Na5 0.02189 0.81830 0.77109 0.75200 0.02580
Mn 0.23041 0.78586 0.97856 0.88000 0.01277
Ca 0.23041 0.78586 0.97856 0.12000 0.01277
Fe1 0.22726 0.11699 0.97591 0.70000 0.01155
Mn1 0.22726 0.11699 0.97591 0.30000 0.01155
Fe2 0.28938 0.51216 0.22829 0.55000 0.01184
Mn2 0.28938 0.51216 0.22829 0.30000 0.01184
Mg2 0.28938 0.51216 0.22829 0.15000 0.01184
Fe3 0.71499 0.49329 0.76594 0.70000 0.01128
Mn3 0.71499 0.49329 0.76594 0.30000 0.01128
Fe4 0.11254 0.01474 0.13706 0.70000 0.01063
Mg4 0.11254 0.01474 0.13706 0.30000 0.01063
Fe5 0.89613 0.98862 0.85777 0.70000 0.01060
Mg5 0.89613 0.98862 0.85777 0.30000 0.01060
Fe6 0.02154 0.75148 0.90041 0.90000 0.00914
Mg6 0.02154 0.75148 0.90041 0.10000 0.00914
Fe7 0.97754 0.24724 0.09333 0.85000 0.00769
Mg7 0.97754 0.24724 0.09333 0.15000 0.00769
Fe8 0.96960 0.74714 0.09624 1.00000 0.00800
Fe9 0.03563 0.26024 0.89825 1.00000 0.00847
Fe10 0.20642 0.30592 0.84961 0.60000 0.01099
Mn10 0.20642 0.30592 0.84961 0.40000 0.01099
Fe11 0.29818 0.19937 0.14574 0.40000 0.01431
Mn11 0.29818 0.19937 0.14574 0.60000 0.01431
Fe12 0.28452 0.78871 0.15165 0.60000 0.00970
Mn12 0.28452 0.78871 0.15165 0.30000 0.00970
Mg12 0.28452 0.78871 0.15165 0.10000 0.00970
Fe13 0.22309 0.29804 0.34013 0.40000 0.01247
Mn13 0.22309 0.29804 0.34013 0.60000 0.01247
Al1 0.00363 0.50120 0.99823 1.00000 0.00546
P1 0.11752 0.99477 0.86640 1.00000 0.00653
P2 0.42104 0.49673 0.16091 1.00000 0.00998
P3 0.13261 0.54033 0.92281 1.00000 0.00668
P4 0.87365 0.46858 0.07432 1.00000 0.00595
P5 0.12924 0.25278 0.03774 1.00000 0.00630
P6 0.37905 0.25198 0.96040 1.00000 0.00600
P7 0.10895 0.76482 0.04545 1.00000 0.00644
P8 0.90048 0.23202 0.95247 1.00000 0.00591
P9 0.87083 0.27580 0.78599 1.00000 0.00770
P10 0.13229 0.72527 0.20905 1.00000 0.00690
P11 0.85859 0.70521 0.79109 1.00000 0.00970
P12 0.14301 0.29528 0.20257 1.00000 0.00900
O1 0.48030 0.56130 0.13091 1.00000 0.01360
O2 0.02950 0.94070 0.86616 1.00000 0.01050
O3 0.38930 0.36460 0.13296 1.00000 0.01050
O4 0.11400 0.14720 0.86031 1.00000 0.01100
O5 0.64520 0.42620 0.81890 1.00000 0.01460
O6 0.18260 0.96060 0.92221 1.00000 0.01310
O7 0.47730 0.47320 0.22429 1.00000 0.03130
O8 0.34880 0.58240 0.16510 1.00000 0.02970
O9 0.05090 0.55860 0.94200 1.00000 0.00780
O10 0.95251 0.44580 0.05341 1.00000 0.00800
O11 0.12630 0.40600 0.89316 1.00000 0.01130
O12 0.88240 0.59970 0.10541 1.00000 0.01100
O13 0.12880 0.66120 0.88252 1.00000 0.01120
O14 0.37470 0.84680 0.11179 1.00000 0.01000
O15 0.21190 0.55990 0.97063 1.00000 0.01410
O16 0.29230 0.96690 0.02541 1.00000 0.01080
O17 0.08490 0.16640 0.07187 1.00000 0.01230
O18 0.41810 0.33350 0.92143 1.00000 0.00950
O19 0.09890 0.39750 0.03522 1.00000 0.00910
O20 0.90897 0.60750 0.96329 1.00000 0.00750
O21 0.11160 0.19160 0.97755 1.00000 0.01280
O22 0.40030 0.31660 0.01864 1.00000 0.01120
O23 0.22480 0.24700 0.06207 1.00000 0.01350
O24 0.28190 0.24840 0.93595 1.00000 0.01150
O25 0.05280 0.64200 0.04699 1.00000 0.00810
O26 0.95640 0.35600 0.95192 1.00000 0.00700
O27 0.07450 0.87010 0.07879 1.00000 0.01020
O28 0.93780 0.12910 0.91995 1.00000 0.00940
O29 0.09710 0.81410 0.98479 1.00000 0.01060
O30 0.90520 0.18360 0.01178 1.00000 0.01280
O31 0.20190 0.73530 0.07080 1.00000 0.01230
O32 0.80960 0.26660 0.92154 1.00000 0.01320
O33 0.95270 0.32190 0.82734 1.00000 0.01450
O34 0.05050 0.67920 0.16745 1.00000 0.01170
O35 0.86830 0.67910 0.22681 1.00000 0.01590
O36 0.13810 0.67210 0.26732 1.00000 0.01570
O37 0.86210 0.12330 0.78913 1.00000 0.02280
O38 0.13630 0.87930 0.20893 1.00000 0.01620
O39 0.79670 0.33830 0.80454 1.00000 0.01550
O40 0.20550 0.66870 0.18801 1.00000 0.01560
O41 0.94560 0.66610 0.82875 1.00000 0.01590
O42 0.05990 0.33710 0.16176 1.00000 0.01250
O43 0.84810 0.34920 0.23286 1.00000 0.03960
O44 0.14500 0.34260 0.26156 1.00000 0.02680
O45 0.85250 0.85850 0.79108 1.00000 0.01380
O46 0.15310 0.14360 0.20252 1.00000 0.01390
O47 0.78820 0.64820 0.81551 1.00000 0.02300
O48 0.21590 0.35960 0.18281 1.00000 0.02090
O49 0.23520 0.99570 0.13510 1.00000 0.01900
O50 0.27270 0.50130 0.86372 1.00000 0.01160
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020956
