LMucko/crystallography-open-database huggingface dataset:
Hydrated phases in the V2O5-K2O-SO3-H2O system. Preparation and structures of K[VO2(SO4)(H2O)] and K[VO2(SO4)(H2O)2].H2O
Richter, Kurt-Ludvig; Mattes, Rainer; Inorganic Chemistry 30 (1991) 4367–4369; doi:10.1021/ic00023a015

data_4344914
_publ_section_title
;
 Hydrated phases in the V2O5-K2O-SO3-H2O system. Preparation and
 structures of K[VO2(SO4)(H2O)] and K[VO2(SO4)(H2O)2].H2O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4367
_journal_page_last               4369
_journal_paper_doi               10.1021/ic00023a015
_journal_volume                  30
_journal_year                    1991
_chemical_formula_sum            'H2 K O7 S V'
_chemical_formula_weight         236.1
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6731(7)
_cell_length_b                   10.696(2)
_cell_length_c                   11.567(2)
_cell_volume                     578.16(17)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.71
_exptl_crystal_density_diffrn    2.71
_refine_ls_R_factor_gt           0.027
_refine_ls_wR_factor_gt          0.042
_cod_data_source_file            Inorg-Chem-1991-30-4367-4368-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
H atoms located but no atomic coordinates given in the paper
;
_cod_database_code               4344914
Hydrated phases in the V2O5-K2O-SO3-H2O system. Preparation and structures of K[VO2(SO4)(H2O)] and K[VO2(SO4)(H2O)2].H2O
Richter, Kurt-Ludvig; Mattes, Rainer; Inorganic Chemistry 30 (1991) 4367–4369; doi:10.1021/ic00023a015

data_4344915
_publ_section_title
;
 Hydrated phases in the V2O5-K2O-SO3-H2O system. Preparation and
 structures of K[VO2(SO4)(H2O)] and K[VO2(SO4)(H2O)2].H2O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4367
_journal_page_last               4369
_journal_paper_doi               10.1021/ic00023a015
_journal_volume                  30
_journal_year                    1991
_chemical_formula_sum            'H6 K O9 S V'
_chemical_formula_weight         272.2
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.01(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.255(2)
_cell_length_b                   9.855(2)
_cell_length_c                   6.533(2)
_cell_volume                     385.10(19)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.07
_exptl_crystal_density_diffrn    2.35
_refine_ls_R_factor_gt           0.024
_refine_ls_wR_factor_gt          0.029
_cod_data_source_file            Inorg-Chem-1991-30-4367-4368-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
H atoms located but no atomic coordinates given in the paper,
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4344915
Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4)
Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P.; Journal of Solid State Chemistry 93 (1991) 514–525; doi:10.1016/0022-4596(91)90326-D

data_1544533
_publ_section_title
;
 Synthesis and crystal structure of two thallium vanadium phosphates :
 TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              514
_journal_page_last               525
_journal_paper_doi               10.1016/0022-4596(91)90326-D
_journal_volume                  93
_journal_year                    1991
_chemical_formula_sum            'H O6 P Tl V'
_chemical_formula_weight         383.29
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.257(2)
_cell_length_b                   17.518(4)
_cell_length_c                   6.810(2)
_cell_volume                     1104.3(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    31.32
_exptl_crystal_density_diffrn    4.610
_exptl_crystal_F_000             1336
_refine_ls_goodness_of_fit_ref   1.71
_refine_ls_number_parameters     53
_refine_ls_number_reflns         564
_refine_ls_R_factor_gt           0.048
_refine_ls_wR_factor_gt          0.048
_cod_data_source_file            JSSC-1991-93-514-525-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value
'http://dx.doi.org/10.1016/0022-4596(91)90326-D' was changed to
'10.1016/0022-4596(91)90326-D'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_original_formula_sum        'H Tl V P O6'
_cod_database_code               1544533
Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4)
Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P.; Journal of Solid State Chemistry 93 (1991) 514–525; doi:10.1016/0022-4596(91)90326-D

data_1544534
_publ_section_title
;
 Synthesis and crystal structure of two thallium vanadium phosphates :
 TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              514
_journal_page_last               525
_journal_paper_doi               10.1016/0022-4596(91)90326-D
_journal_volume                  93
_journal_year                    1991
_chemical_formula_sum            'H O16 P3 Tl3 V3'
_chemical_formula_weight         1115.85
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.160(2)
_cell_length_b                   13.378(2)
_cell_length_c                   14.422(1)
_cell_volume                     1381.4(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    37.63
_exptl_crystal_density_diffrn    5.378
_exptl_crystal_F_000             1940
_refine_ls_goodness_of_fit_ref   2.51
_refine_ls_number_parameters     78
_refine_ls_number_reflns         1093
_refine_ls_R_factor_gt           0.041
_refine_ls_wR_factor_gt          0.054
_cod_data_source_file            JSSC-1991-93-514-525-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value
'http://dx.doi.org/10.1016/0022-4596(91)90326-D' was changed to
'10.1016/0022-4596(91)90326-D'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_original_formula_sum        'H Tl3 V3 P3 O16'
_cod_database_code               1544534
Hydrothermal synthesis and structural characterization of a nickel(II) vanadyl(IV) phosphate hydrate : Ni0.5VOPO4 . 1.5H2O
Lii, K. H.; Mao, L. F.; Journal of Solid State Chemistry 96 (1992) 436–441; doi:10.1016/S0022-4596(05)80278-6

data_1544535
_publ_section_title
;
 Hydrothermal synthesis and structural characterization of a nickel(II)
 vanadyl(IV) phosphate hydrate : Ni0.5VOPO4 . 1.5H2O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              436
_journal_page_last               441
_journal_paper_doi               10.1016/S0022-4596(05)80278-6
_journal_volume                  96
_journal_year                    1992
_chemical_formula_sum            'H3 Ni0.5 O6.5 P V'
_chemical_formula_weight         218.28
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.344(1)
_cell_length_b                   9.350(3)
_cell_length_c                   9.731(1)
_cell_volume                     941.1(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    4.29
_exptl_crystal_density_diffrn    3.081
_refine_ls_goodness_of_fit_ref   1.78
_refine_ls_number_parameters     106
_refine_ls_number_reflns         955
_refine_ls_R_factor_gt           0.025
_refine_ls_wR_factor_gt          0.024
_cod_data_source_file            JSSC-1992-96-436-441.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value
'http://dx.doi.org/10.1016/S0022-4596(05)80278-6' was changed to
'10.1016/S0022-4596(05)80278-6'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_original_cell_volume        941.2(3)
_cod_database_code               1544535
Organic templates in zincophosphates synthesis : Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings and Zn-N bonds
Harrison, William T. A.; Nenoff, Tina M.; Eddy, Michael, M.; Martin, Theresa E.; Stucky, Galen, D.; Journal of Materials Chemistry 2 (1992) 1127–1134; doi:10.1039/JM9920201127

data_7227041
_publ_section_title
;
 Organic templates in zincophosphates synthesis :
 Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring
 channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings
 and Zn-N bonds
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1127
_journal_page_last               1134
_journal_paper_doi               10.1039/JM9920201127
_journal_volume                  2
_journal_year                    1992
_chemical_formula_sum            'C12 H34 N4 O25 P6 Zn5'
_chemical_formula_weight         1147.14
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.406(5)
_cell_angle_beta                 85.029(5)
_cell_angle_gamma                114.485(5)
_cell_formula_units_Z            2
_cell_length_a                   9.366(1)
_cell_length_b                   9.882(1)
_cell_length_c                   19.183(2)
_cell_volume                     1596.5(3)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.198
_exptl_crystal_density_diffrn    2.386
_refine_ls_number_reflns         4095
_refine_ls_R_factor_gt           0.0711
_refine_ls_wR_factor_gt          0.0755
_cod_data_source_file            J-Mater-Chem-1992-2-1127-1134-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
y atomic coordinate for O14 changed from 0.304 to 0.804
but it is still obviously uncorrect from the P3-O14 distance.
Other coordinate errors detected...        
;
_cod_original_formula_sum        'H34 C12 N4 O25 P6 Zn5'
_cod_database_code               7227041
Organic templates in zincophosphates synthesis : Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings and Zn-N bonds
Harrison, William T. A.; Nenoff, Tina M.; Eddy, Michael, M.; Martin, Theresa E.; Stucky, Galen, D.; Journal of Materials Chemistry 2 (1992) 1127–1134; doi:10.1039/JM9920201127

data_7227042
_publ_section_title
;
 Organic templates in zincophosphates synthesis :
 Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring
 channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings
 and Zn-N bonds
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1127
_journal_page_last               1134
_journal_paper_doi               10.1039/JM9920201127
_journal_volume                  2
_journal_year                    1992
_chemical_formula_sum            'C6 N2 O12 P3 Zn3'
_chemical_formula_weight         596.27
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.095(2)
_cell_length_b                   16.413(2)
_cell_length_c                   8.263(1)
_cell_volume                     1504.7(4)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.251
_exptl_crystal_density_diffrn    2.6321
_refine_ls_number_reflns         1321
_refine_ls_R_factor_gt           0.0571
_refine_ls_wR_factor_gt          0.0589
_cod_data_source_file            J-Mater-Chem-1992-2-1127-1134-2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
 Changing the _chemical_formula_sum data item value from
 'C6 H15 N2 P3 Zn3 o12' to 'C6 N2 O12 P3 Zn3'.

 Antanas Vaitkus,
 2017-01-04

y atomic coordinate for P3 changed from -0.1260 to 0.1260
;
_cod_original_formula_sum        'H15 C6 N2 o12 P3 Zn3'
_cod_database_code               7227042
Synthesis and crystal structure of potassium and sodium vanadium phosphates
Korthuis, V. C.; Hoffmann, R. D.; Huang, Jinfan; Sleight, A. W.; Chemistry of Materials 5 (1993) 206–209; doi:10.1021/cm00026a009

data_4002687
_publ_section_title
;
 Synthesis and crystal structure of potassium and sodium vanadium
 phosphates
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              206
_journal_page_last               209
_journal_paper_doi               10.1021/cm00026a009
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'K2 O6 P V'
_chemical_formula_weight         256.11
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.02(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.863(2)
_cell_length_b                   13.479(5)
_cell_length_c                   7.505(1)
_cell_volume                     648.1(3)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.027
_exptl_crystal_density_diffrn    2.625
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             496
_refine_ls_number_parameters     91
_refine_ls_number_reflns         2496
_refine_ls_R_factor_gt           0.047
_refine_ls_wR_factor_gt          0.072
_cod_data_source_file            Chem-Mat-1993-5-206-209-1.cif
_cod_data_source_block           K2VPO6
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4002687
Synthesis and crystal structure of potassium and sodium vanadium phosphates
Korthuis, V. C.; Hoffmann, R. D.; Huang, Jinfan; Sleight, A. W.; Chemistry of Materials 5 (1993) 206–209; doi:10.1021/cm00026a009

data_4002688
_publ_section_title
;
 Synthesis and crystal structure of potassium and sodium vanadium
 phosphates
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              206
_journal_page_last               209
_journal_paper_doi               10.1021/cm00026a009
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Na2 O6 P V'
_chemical_formula_weight         223.89
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.00(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1805(7)
_cell_length_b                   12.436(1)
_cell_length_c                   7.386(1)
_cell_volume                     542.89(11)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.238
_exptl_crystal_density_diffrn    2.739
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             432
_refine_ls_number_parameters     90
_refine_ls_number_reflns         1447
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.045
_cod_data_source_file            Chem-Mat-1993-5-206-209-2.cif
_cod_data_source_block           Na2VPO6
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4002688
Effects of Mg and Si ions on the symmetry of delta-AlOOH
Komatsu, K.; Sano-Furukawa, A.; Kagi, H.; Physics and Chemistry of Minerals 38 (2011) 727–733; doi:

data_1544548
_publ_section_title
;
 Effects of Mg and Si ions on the symmetry of delta-AlOOH
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              727
_journal_page_last               733
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'Al0.84 H Mg0.07 O2 Si0.07'
_chemical_name_common            'AlOOH delta phase'
_chemical_name_mineral           delta-(Al,Mg,Si)OOH
_space_group_IT_number           58
_space_group_name_H-M_alt        'P n n m'
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.70456(5)
_cell_length_b                   4.21232(4)
_cell_length_c                   2.83681(3)
_cell_volume                     56.2174(10)
_cod_data_source_file            AlOOH-delta-Pnnm-Komatsu2011.cif
_cod_data_source_block           delta-(Al,Mg,Si)OOH
_cod_original_formula_sum        'Al0.84 Si0.07 Mg0.07 O2 H'
_cod_database_code               1544548
The crystal structure of delta-Al(OH)3: Neutron diffraction measurements and ab initio calculations
Matsui, M.; Komatsu, K.; Ikeda, E.; Sano-Furukawa, A.; Gotou, H.; Yagi, T.; American Mineralogist 96 (2011) 854–859; doi:

data_1544549
_publ_section_title
;
 The crystal structure of delta-Al(OH)3: Neutron diffraction measurements
 and ab initio calculations
;
_journal_name_full               'American Mineralogist'
_journal_page_first              854
_journal_page_last               859
_journal_volume                  96
_journal_year                    2011
_chemical_formula_sum            'Al H3 O3'
_chemical_name_common            'Al(OH)3 delta phase'
_chemical_name_mineral           delta-Al(OH)3
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.13972(17)
_cell_length_b                   7.2556(2)
_cell_length_c                   5.06349(16)
_cell_volume                     188.826(10)
_cod_data_source_file            AlOH3-delta-P212121.cif
_cod_data_source_block           delta-Al(OH)3
_cod_original_formula_sum        'Al O3 H3'
_cod_database_code               1544549
Study of MnXO4.nH2O (X = P, As) phases and synthesis and structure of the simple, novel salt MnAsO4
Aranda, Miguel A. G.; Attfield, J. Paul; Bruque, Sebastian; Inorganic Chemistry 32 (1993) 1925–1930; doi:10.1021/ic00062a009

data_4344916
_publ_section_title
;
 Study of MnXO4.nH2O (X = P, As) phases and synthesis and structure of the
 simple, novel salt MnAsO4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1925
_journal_page_last               1930
_journal_paper_doi               10.1021/ic00062a009
_journal_volume                  32
_journal_year                    1993
_chemical_formula_sum            'As Mn O4'
_chemical_formula_weight         193.86
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.813(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6833(2)
_cell_length_b                   8.9303(2)
_cell_length_c                   4.7914(1)
_cell_volume                     285.336(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    49.214
_exptl_crystal_density_diffrn    4.513
_exptl_crystal_F_000             360
_pd_proc_ls_prof_R_factor        0.055
_pd_proc_ls_prof_wR_factor       0.074
_refine_ls_number_reflns         426
_refine_ls_R_Fsqd_factor         0.027
_cod_data_source_file            Inorg-Chem-1993-32-1925-1930.cif
_cod_data_source_block           MnAsO4
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4344916